Basic information
- CAS
74103-28-9- Standard SMILES
CC(=O)Nc1ccc(C(=O)O)cc1Br- InChIKey
YCRQMCDNYOYGCJ-UHFFFAOYSA-N- Molecular formula
- C9H8BrNO3
- Average molar mass
- 258.07 g/mol
- Monoisotopic mass
- 256.96876
Names & identifiers
- Preferred name
- 4-(Acetylamino)-3-bromobenzoic acid
- IUPAC
- 4-acetamido-3-bromobenzoic acid
- English name
- 4-AcetaMido-3-broMobenzoic acid
- Molecular formula
- C9H8BrNO3
- Molecular weight
- 258.07
Names & synonyms
74103-28-94-(acetylamino)-3-bromobenzoic acidDTXSID50429106RefChem:288423DTXCID003799404-acetamido-3-bromobenzoic acid3-bromo-4-acetamidobenzoic acid4-Acetamido-3-bromobenzoicacidAE-562/43287103SCHEMBL116359444-acetamido-3-bromo-benzoic acidYCRQMCDNYOYGCJ-UHFFFAOYSA-N
Show more names
Benzoic acid, 4-(acetylamino)-3-bromo-
SBB067966AKOS013648236ST105198DB-074780CS-0360245EN300-905403
Database identifiers
- CAS
74103-28-9- PubChem CID
- 8167149
- DTXSID
DTXSID50429106
Properties
Computed structural properties
- XLogP
- 1.3
- 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
- 226 · 226-229 °C
- Boiling point
- 466.4 · 466.4±40.0 °C(Predicted)
- Density
- 1.706 · 1.706±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 3.88 · 3.88±0.10(Predicted)
Chemistry & industry
Suppliers4 total
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
常州千艾生物科技有限公司051915240519135 13961152745 · [email protected]
烟台盛凯伦化学科技有限公司开发区第一分公司13356901049 · [email protected]
陕西缔都化学有限公司17691182729 17392216275 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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