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Basic information
- CAS
74114-62-8- Standard SMILES
CC(=O)Nc1ccc(C(=O)O)cc1Cl- InChIKey
ZFQGFRPIFLLJKF-UHFFFAOYSA-N- Molecular formula
- C9H8ClNO3
- Average molar mass
- 213.62 g/mol
- Monoisotopic mass
- 213.0192708
Names & identifiers
- Preferred name
- 4-Acetamido-3-chlorobenzoic acid
- IUPAC
- 4-acetamido-3-chlorobenzoic acid
- English name
- 4-AcetaMido-3-chlorobenzoic acid
- Molecular formula
- C9H8ClNO3
- Molecular weight
- 213.62
Names & synonyms
4-acetamido-3-chlorobenzoic acid74114-62-84-(acetylamino)-3-chlorobenzoic acid3-CHLORO-4-ACETAMIDOBENZOIC ACIDBenzoic acid, 4-(acetylamino)-3-chloro-AB-016/41252625SCHEMBL11059544-acetamido-3-chlorobenzoicacidDTXSID203504934-acetamido-3-chloro-benzoic acid4-Acetylamino-3-chlorobenzoic acidSBB094851
Show more names
STK205666AKOS005415874FA66495ST034445DB-316152CS-0259217EN300-726462G28535
Database identifiers
- CAS
74114-62-8- PubChem CID
- 680951
- DTXSID
DTXSID20350493- Nikkaji
- J1.783.142I
Properties
Computed structural propertiesFilling in
- XLogP
- 1.1
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 244
Physicochemical properties
- Melting point
- 234 · 234-236 °C
- Boiling point
- 444.1 · 444.1±35.0 °C(Predicted)
- Density
- 1.453 · 1.453±0.06 g/cm3(Predicted)
- pka
- 3.9 · 3.90±0.10(Predicted)
Chemistry & industry
Suppliers4 total
Aceschem Inc.+1-817863-6948 +1-（817）863-6948 · [email protected]
上海威芬奇医药科技有限公司13817485796 · [email protected]
常州千艾生物科技有限公司051915240519135 13961152745 · [email protected]
陕西缔都化学有限公司17691182729 17392216275 · [email protected]
Related reactions
11 records
Compound notes
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