Basic information
- CAS
3980-13-0- Standard SMILES
O=C(Nc1ccccc1C(=O)O)c1ccc(C(=O)Nc2ccccc2C(=O)O)cc1- InChIKey
OZTGEJJJJHPYJZ-UHFFFAOYSA-N- Molecular formula
- C22H16N2O6
- Average molar mass
- 404.4 g/mol
- Monoisotopic mass
- 404.10083623
Names & identifiers
- Preferred name
- Benzoic acid, 2,2'-[1,4-phenylenebis(carbonylimino)]bis-
- IUPAC
- 2-[[4-[(2-carboxyphenyl)carbamoyl]benzoyl]amino]benzoic acid
- English name
- 2,2'-[1,4-phenylenebis (carbonylimino)] bis-Benzoic acid
- Molecular weight
- 0
Names & synonyms
3980-13-0Benzoic acid, 2,2'-[1,4-phenylenebis(carbonylimino)]bis-2-[[4-[(2-carboxyphenyl)carbamoyl]benzoyl]amino]benzoic acidCHEMBL241606Oprea1_438349Oprea1_502191CBDivE_010635SCHEMBL2028671terephthaloyl-bisanthranilic acidDTXSID40360034BDBM50477598STK266255
Show more names
2,2'-[1,4-phenylenebis (carbonylimino)] bis-Benzoic acid
AKOS000640211NS00128660ST50907690SR-01000393033SR-01000393033-12,2'-[(1,4-PHENYLENE)BIS(CARBONYL-IMINO)]2,2'-[1,4-phenylenebis(carbonylimino)]dibenzoic acid2,2'-[1,4-Phenylenebis(carbonylazanediyl)]dibenzoic acid
Database identifiers
- CAS
3980-13-0- PubChem CID
- 1069143
- DTXSID
DTXSID40360034- ChEMBL
CHEMBL241606- Nikkaji
- J70.952B
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 133 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 602
Experimental & physicochemical properties
Food Contact SubstancesFCS -> FDA Cumulative Estimated Daily Intake (CEDI)
Related reactions
1 records
Compound notes
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