Basic information
- CAS
1025664-36-1- Standard SMILES
O=C(c1ccc(B(O)O)cc1)N1CCC1- InChIKey
UZBJPDDOQVVNMF-UHFFFAOYSA-N- Molecular formula
- C10H12BNO3
- Average molar mass
- 205.02 g/mol
- Monoisotopic mass
- 205.0910234
Names & identifiers
- Preferred name
- (4-(Azetidine-1-carbonyl)phenyl)boronic acid
- IUPAC
- [4-(azetidine-1-carbonyl)phenyl]boronic acid
- English name
- [4-(1-Azetidinylcarbonyl)phenyl]-boronic acid
- Molecular formula
- C10H11BFNO3
- Molecular weight
- 223.01
Names & synonyms
(4-(Azetidine-1-carbonyl)phenyl)boronic acid1025664-35-04-(Azetidine-1-carbonyl)phenylboronic Acid[4-(Azetidine-1-carbonyl)phenyl]boronic acidMFCD22200200Boronic acid, B-[4-(1-azetidinylcarbonyl)phenyl]-(4-(Azetidine-1-carbonyl)phenyl)boronicacid[4-(1-Azetidinylcarbonyl)phenyl]-boronic acidSCHEMBL950365DTXSID80727809UZBJPDDOQVVNMF-UHFFFAOYSA-NAC7762
Show more names
(4-(Azetidine-1-carbonyl)-3-fluorophenyl)boronic acidB-[4-(1-Azetidinylcarbonyl)-3-fluorophenyl]boronic acidBoronic acid, B-[4-(1-azetidinylcarbonyl)-3-fluorophenyl]-
AKOS016006949SB52195AS-79054SY027265DB-114202DB-327787CS-0318893D88179
Database identifiers
- CAS
1025664-36-1- PubChem CID
- 57747385
- DTXSID
DTXSID80727809
Properties
Computed structural properties
- Topological polar surface area
- 60.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 235
Physicochemical properties
- Boiling point
- 450.4 · 450.4±55.0 °C(Predicted)
- Density
- 1.37 · 1.37±0.1 g/cm3(Predicted)
- pka
- 7.1 · 7.10±0.17(Predicted)
Chemistry & industry
Suppliers19 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
韶远科技（上海）有限公司4000665055 · [email protected]
上海安米克化学品有限公司微信 18019252918 18019252918 · [email protected]
烟台盛凯伦生物制品有限公司13356901049 · [email protected]
泰州市众致生物科技有限公司[email protected] 15066129350 · [email protected]
Qingdao Dexin Chemical Co., Ltd+86-15553333686 · [email protected]
台州川旭医药科技有限公司[email protected] 15165038510 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
聊城莱博特生物医药科技有限公司0635-893290 · [email protected]
上海颖心实验室设备有限公司021-021-59178156 15300768757 · [email protected]
烟台盛凯伦化学科技有限公司13356901049 · [email protected]
上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 17714375163 · [email protected]
Related reactions
1 records
Compound notes
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