chempirical

Lobenzarit

C14H10ClNO4CAS 63329-53-3291.69 g/mol

Open in Covalent MOL file
OHONHClOHO
Aryl halideCarboxylic acidSecondary amine

Properties

Molecular formula
C14H10ClNO4
Molar mass
291.69 g/mol
Exact mass
291.0298 Da
Melting point
above 306 °C
logP
3.48Crippen estimate
Polar surface area
86.6 Ų
H-bond donors / acceptors
3 / 3
Rotatable bonds
4

Identifiers

CAS number
63329-53-3
SMILES
O=C(O)c1ccccc1Nc1cc(Cl)ccc1C(=O)O
InChIKey
UGDPYGKWIHHBMB-UHFFFAOYSA-N
InChI
InChI=1S/C14H10ClNO4/c15-8-5-6-10(14(19)20)12(7-8)16-11-4-2-1-3-9(11)13(17)18/h1-7,16H,(H,17,18)(H,19,20)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

5 names
  • Benzoic acid, 2-[(2-carboxyphenyl)amino]-4-chloro-
  • 2-[(2-Carboxyphenyl)amino]-4-chlorobenzoic acid
  • N-(2-Carboxyphenyl)-4-chloroanthranilic acid
  • CCA
  • 2-(2-Carboxyanilino)-4-chlorobenzoic acid

Work with Lobenzarit

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-[(3-Chlorophenyl)amino]benzoic acid13278-36-972 % similar Tolfenamic acid13710-19-562 % similar 4-Chlorophthalic acid89-20-358 % similar Fenamic acid91-40-758 % similar Mefenamic acid61-68-756 % similar 2,4-Dichlorobenzoic acid50-84-055 % similar 4-Chlorosalicylic acid5106-98-954 % similar 2-Amino-4-chlorobenzoic acid89-77-054 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook