Basic information
- CAS
38667-55-9- Standard SMILES
CC(=O)Nc1ccc(C(=O)O)c(Cl)c1- InChIKey
TZXJLFBEXYSTJG-UHFFFAOYSA-N- Molecular formula
- C9H8ClNO3
- Average molar mass
- 213.62 g/mol
- Monoisotopic mass
- 213.0192708
Names & identifiers
- Preferred name
- 4-Acetamido-2-chlorobenzoic acid
- IUPAC
- 4-acetamido-2-chlorobenzoic acid
- English name
- 2-Methyl-para-aminobenzoicacid
- Molecular formula
- C9H8ClNO3
- Molecular weight
- 213.62
Names & synonyms
38667-55-94-acetamido-2-chlorobenzoic acidDTXSID00191967RefChem:1070203DTXCID401144584-(acetylamino)-2-chlorobenzoic acid2-chloro-4-acetamidobenzoic acid4-acetamido-2-chloro-benzoic AcidMFCD037566452-METHYL-PARA-AMINOBENZOICACIDSCHEMBL13046984-acetamido-2-chlorobenzoicacid
Show more names
Benzoic acid, 4-(acetylamino)-2-chloro-4-(acetylamino)-2-chlorobenzoic acid(SALTDATA: FREE)
NBA66755SBB006912STK205667AKOS000104753BS-37820DA-22377ST034446CS-0222634
Database identifiers
- CAS
38667-55-9- PubChem CID
- 181587
- DTXSID
DTXSID00191967- EC Number
- 884-289-6
- Nikkaji
- J1.430.190I
Properties
Computed structural properties
- XLogP
- 2.1
- 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
- 206 °C · 206 °C
- Boiling point
- 444.9 · 444.9±35.0 °C(Predicted)
- Density
- 1.453 · 1.453±0.06 g/cm3(Predicted)
- pka
- 3.06 · 3.06±0.25(Predicted)
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers8 total
杭州品高化工有限公司0571-87658025 · [email protected]
郑州为易化工产品有限公司0371-88888888 qq272369594;2159423853qq · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 19370895928 · [email protected]
常州千艾生物科技有限公司051915240519135 13961152745 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +8619957148339 · [email protected]
南京世洲生物科技有限公司17301488900 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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