Basic information
- Standard SMILES
O=C1Nc2ccccc2CO1- InChIKey
SYZIUAAQNFJPJY-UHFFFAOYSA-N- Molecular formula
- C8H7NO2
- Average molar mass
- 149.15 g/mol
- Monoisotopic mass
- 149.04767847
Names & identifiers
- Preferred name
- 1,4-Dihydro-2H-3,1-benzoxazin-2-one
- IUPAC
- 1,4-dihydro-3,1-benzoxazin-2-one
- English name
- 1,4-dihydro-2H-3,1-benzoxazin-2-one
- Molecular formula
- C8H7NO2
- Molecular weight
- 149.15
Names & synonyms
1,4-Dihydro-2H-3,1-benzoxazin-2-oneBRN 0133061EINECS 236-183-01,2-Dihydro-4H-3,1-benzoxazin-2-one4H-3,1-BENZOXAZIN-2-ONE, 1,2-DIHYDRO-DTXSID201573634-27-00-02727 (Beilstein Handbook Reference)RefChem:220531DTXCID9079854236-183-013213-88-21,4-dihydro-3,1-benzoxazin-2-one
Show more names
4H-3,1-Benzoxazine-2(1H)-one1,2-Dihydro-4H-3,1-benzoxazine-2-one2H-3,1-Benzoxazin-2-one, 1,4-dihydro-2,4-dihydro-1H-benzo[d][1,3]oxazin-2-one1,4-Dihydro-2H-benzo[d][1,3]oxazin-2-one - [D94551]
1H-benzo[d][1,3]oxazin-2(4H)-one1,4-dihydro-benzo[d][1,3]oxazin-2-oneMFCD016638801,4-dihydro-2H-benzo[d][1,3]oxazin-2-one2,4-dihydro-1H-3,1-benzoxazin-2-one(4h)-3,1-benzoxazinoneSCHEMBL464780orb3026139
Database identifiers
- CAS
13213-88-2- PubChem CID
- 25786
- DTXSID
DTXSID20157363- EC Number
- 236-183-0
- Nikkaji
- J54.918E
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 169
Physicochemical properties
- storage temp.
- Store at room temperature
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 280 · P280-P305+P351+P338
- HS Code
- 2934999090 · 2934999090
Safety & regulation
Safety data
- hs_code
- 2934999090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers22 total
韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
南京药石科技股份有限公司4000255188 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
上海伯韵医药科技有限公司13817873692 · [email protected]
上海贺康生物技术有限公司17721021104 18939837085 · [email protected]
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
南京合巨药业有限公司25-57027686 17372956142 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
上海林栎生物科技有限公司13761635123 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 17714375163 · [email protected]
苏州诺行贸易有限公司0512-65816829 18662214788 · [email protected]
江西元兴生物医药科技有限公司13642377995 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
常州优瑞医药科技有限公司18168818882 · [email protected]
南京药石科技股份有限公司4000255188 · [email protected]
武汉创合化学有限公司15907120073 · [email protected]
Related reactions
6 records
Linked notes
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