Basic information
- CAS
719282-08-3- Standard SMILES
CNC(=O)Nc1ccc(Cl)c(C(=O)O)c1- InChIKey
NUSRNYHSRDMMQL-UHFFFAOYSA-N- Molecular formula
- C9H9ClN2O3
- Average molar mass
- 228.63 g/mol
- Monoisotopic mass
- 228.0301698
Names & identifiers
- Preferred name
- 2-Chloro-5-[(methylcarbamoyl)amino]benzoic acid
- IUPAC
- 2-chloro-5-(methylcarbamoylamino)benzoic acid
- English name
- Benzoic acid, 2-chloro-5-[[(methylamino)carbonyl]amino]-
- Molecular formula
- C9H9ClN2O3
- Molecular weight
- 228.63
Names & synonyms
2-CHLORO-5-[(METHYLCARBAMOYL)AMINO]BENZOIC ACID719282-08-32-chloro-5-(methylcarbamoylamino)benzoic acidAQ-090/42240076CHEMBL5011183DTXSID30904981UDB28208AKOS010437087ST034447CS-0264614EN300-934903G40603
Show more names
Benzoic acid, 2-chloro-5-[[(methylamino)carbonyl]amino]-
2-chloro-5-[(methylamino)carbonylamino]benzoic acid2-CHLORO-5-[(METHYLCARBAMOYL)AMINO]BENZOICACID2-chloro-5-{[(methylamino)carbonyl]amino}benzoic acidZ763651764
Database identifiers
- CAS
719282-08-3- PubChem CID
- 680952
- DTXSID
DTXSID30904981- ChEMBL
CHEMBL5011183
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 78.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 260
Physicochemical properties
- Boiling point
- 375.4 · 375.4±42.0 °C(Predicted)
- Density
- 1.467 · 1.467±0.06 g/cm3(Predicted)
- pka
- 2.95 · 2.95±0.25(Predicted)
Chemistry & industry
Suppliers1 total
宝欧信特生物科技（苏州）有限公司51288865780 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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