Basic information
- CAS
87150-13-8- Standard SMILES
N#Cc1ccc(-c2cnco2)cc1- InChIKey
LZMCNLOQTURTHS-UHFFFAOYSA-N- Molecular formula
- C10H6N2O
- Average molar mass
- 170.17 g/mol
- Monoisotopic mass
- 170.04801282
Names & identifiers
- Preferred name
- 4-(1,3-Oxazol-5-yl)benzonitrile
- IUPAC
- 4-(1,3-oxazol-5-yl)benzonitrile
- English name
- 4-(1,3-OXAZOL-5-YL)BENZONITRILE
- Molecular formula
- C10H6N2O
- Molecular weight
- 170.17
Names & synonyms
4-(1,3-Oxazol-5-yl)benzonitrile87150-13-8DTXSID30380448RefChem:286617DTXCID703314744-(5-oxazolyl)benzonitrile4-(oxazol-5-yl)benzonitrileMFCD00084987Benzonitrile, 4-(5-oxazolyl)-4-oxazol-5-ylbenzonitrileMaybridge1_0032074-Oxazol-5-yl-benzonitrile
Show more names
5-(4-CYANOPHENYL)OXAZOLE5-(4-Cyanophenyl)-1,3-oxazole4-(1,3-OXAZOL-5-YL)BENZENECARBONITRILE
SCHEMBL2921542CHEMBL3354471HMS550J17LZMCNLOQTURTHS-UHFFFAOYSA-NAKOS005216428SY012458DB-006529CS-0060228
Database identifiers
- CAS
87150-13-8- PubChem CID
- 2777271
- DTXSID
DTXSID30380448- ChEMBL
CHEMBL3354471- Nikkaji
- J1.142.594A
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 212
Physicochemical properties
- storage temp.
- 2 · 2-8°C
- 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
Suppliers53 total
上海腾准生物科技有限公司19821570922 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
上海辅欣医药科技有限公司+86-021-021-50872116 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
上海辅欣医药科技有限公司021-50872116 13391048226 · [email protected]
武汉罗化科技有限公司13477084141; 13477084141 · [email protected]
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
Related reactions
3 records
Compound notes
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