Basic information
- CAS
42122-74-7- Standard SMILES
O=C(O)c1cc(NC(=O)c2ccccc2Cl)cc(C(=O)O)c1- InChIKey
ZTPGEDDTXTWHKF-UHFFFAOYSA-N- Molecular formula
- C15H10ClNO5
- Average molar mass
- 319.69 g/mol
- Monoisotopic mass
- 319.0247501
Names & identifiers
- Preferred name
- 5-[(2-Chlorobenzoyl)amino]isophthalic acid
- IUPAC
- 5-[(2-chlorobenzoyl)amino]benzene-1,3-dicarboxylic acid
Names & synonyms
42122-74-75-[(2-Chlorobenzoyl)amino]-1,3-benzenedicarboxylic acid5-(2-CHLOROBENZAMIDO)BENZENE-1,3-DICARBOXYLIC ACID5-[(2-chlorobenzoyl)amino]isophthalic acidCBMicro_032024Cambridge id 5765056MixCom6_001688Oprea1_2938075-[(2-chlorobenzoyl)amino]benzene-1,3-dicarboxylic acidDTXSID7012035935-{[(2-chlorophenyl)carbonyl]amino}benzene-1,3-dicarboxylic acidSTK044685
Show more names
AKOS001724028BIM-0032233.P001AG-205/11298005SR-01000517113SR-01000517113-1
Database identifiers
- CAS
42122-74-7- PubChem CID
- 692602
- DTXSID
DTXSID701203593
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 433
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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