Basic information
- CAS
80099-81-6- Standard SMILES
O=C(c1ccccc1)c1cccnc1Cl- InChIKey
KKJGMDXUAOTRBW-UHFFFAOYSA-N- Molecular formula
- C12H8ClNO
- Average molar mass
- 217.65 g/mol
- Monoisotopic mass
- 217.02944156
Names & identifiers
- Preferred name
- 3-Benzoyl-2-chloropyridine
- IUPAC
- (2-chloro-3-pyridinyl)-phenylmethanone
- English name
- 3-Benzoyl-2-chloropyridine
- Molecular formula
- C12H8ClNO
- Molecular weight
- 217.65
Names & synonyms
80099-81-63-Benzoyl-2-chloropyridineDTXSID20356455RefChem:276940DTXCID30307514(2-Chloropyridin-3-yl)(phenyl)methanone(2-chloropyridin-3-yl)-phenylmethanone(2-Chloro-3-pyridinyl)phenylmethanone3-benzoyl-2-chloro-pyridineSCHEMBL3709112KKJGMDXUAOTRBW-UHFFFAOYSA-NMFCD03230024
Show more names
2-CHLORO-3-PYRIDINYL) PHENYL METHANONEMethanone, (2-chloro-3-pyridinyl)phenyl-
AKOS002684103(2-chloro-3-pyridyl)-phenyl-methanoneAB13818(2-chloro-3-pyridinyl)(phenyl)methanoneAC-12339CS-0362845AC-907/34109021
Database identifiers
- CAS
80099-81-6- PubChem CID
- 824619
- DTXSID
DTXSID20356455- Nikkaji
- J432.974K
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 30 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 226
Physicochemical properties
- Boiling point
- 356.8 · 356.8±22.0 °C(Predicted)
- Density
- 1.26 · 1.260±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- -1.35 · -1.35±0.10(Predicted)
Chemistry & industry
Suppliers9 total
Aceschem Inc.+1-817863-6948 +1-（817）863-6948 · [email protected]
武汉凯美克化学科技有限公司027-87342388 18086026008 · [email protected]
上海卡洛化学有限公司21-33526724 18930996265 · [email protected]
盐城康迪森医药科技有限公司13812573443;18052965989 · [email protected]
杭州摩库生物医药科技有限公司400-711-5280 86-571-81025280 · [email protected]
合肥钼凯医药科技有限公司18130062233 · [email protected]
阿里化学（常州）有限公司19941333411
湖北玖天生物医药科技有限公司027-88013699 17354350817 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
10 records
Compound notes
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