Basic information
- CAS
165187-23-5- Standard SMILES
N#Cc1cccc(C(Br)Br)c1Cl- InChIKey
KZIUQKCRAYTVFZ-UHFFFAOYSA-N- Molecular formula
- C8H4Br2ClN
- Average molar mass
- 309.38 g/mol
- Monoisotopic mass
- 306.83990101
Names & identifiers
- Preferred name
- 2-Chloro-3-(dibromomethyl)benzonitrile
- IUPAC
- 2-chloro-3-(dibromomethyl)benzonitrile
- English name
- 2-chloro-3-(dibroMoMethyl)benzonitrile
- Molecular formula
- C8H4Br2ClN
- Molecular weight
- 309.39
Names & synonyms
2-CHLORO-3-(DIBROMOMETHYL)BENZONITRILE165187-23-5SCHEMBL73079442-Chloro-3-cyano-benzal bromideDTXSID10628890KZIUQKCRAYTVFZ-UHFFFAOYSA-NAKOS016845465Benzonitrile, 2-chloro-3-(dibromomethyl)-DB-302943
Database identifiers
- CAS
165187-23-5- PubChem CID
- 22914937
- DTXSID
DTXSID10628890
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 198
Physicochemical properties
- Boiling point
- 332.1 · 332.1±42.0 °C(Predicted)
- Density
- 1.99 · 1.99±0.1 g/cm3(Predicted)
Chemistry & industry
Suppliers6 total
浙江雅辰药物科技股份有限公司13674959855 13674959855 · [email protected]
郑州药领医药科技有限公司13526569071 · [email protected]
苏州美石生物科技有限公司1173954148q · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
济南睿思医药技术有限公司0531-0531-69900633 19963472814 · [email protected]
河北药成医药科技有限责任公司19903117580 19903117510 · [email protected]
Related reactions
1 records
Compound notes
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