2-Chloro-4-[3-(cyclopropylaminocarbonyl)phenyl]benzoic acid - CAS 1261984-00-2
Catalog: |
BB070042 |
Product Name: |
2-Chloro-4-[3-(cyclopropylaminocarbonyl)phenyl]benzoic acid |
CAS: |
1261984-00-2 |
Synonyms: |
2-CHLORO-4-[3-(CYCLOPROPYLAMINOCARBONYL)PHENYL]BENZOIC ACID; 3-Chloro-3'-(cyclopropylcarbamoyl)-[1,1'-biphenyl]-4-carboxylic acid; 2-chloro-4-[3-(cyclopropylcarbamoyl)phenyl]benzoic acid; 3-Chloro-3'-(cyclopropylcarbamoyl)-[1,1'-biphenyl]-4-carboxylicacid |
IUPAC Name: | 2-chloro-4-[3-(cyclopropylcarbamoyl)phenyl]benzoic acid |
Description: | 2-Chloro-4-[3-(cyclopropylaminocarbonyl)phenyl]benzoic acid |
Molecular Weight: | 315.75 |
Molecular Formula: | C17H14ClNO3 |
Canonical SMILES: | C1CC1NC(=O)C2=CC=CC(=C2)C3=CC(=C(C=C3)C(=O)O)Cl |
InChI: | InChI=1S/C17H14ClNO3/c18-15-9-11(4-7-14(15)17(21)22)10-2-1-3-12(8-10)16(20)19-13-5-6-13/h1-4,7-9,13H,5-6H2,(H,19,20)(H,21,22) |
InChI Key: | SYJLBFOGPLSIKI-UHFFFAOYSA-N |
Complexity: | 438 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 315.066221 |
Formal Charge: | 0 |
Heavy Atom Count: | 22 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 315.066221 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 66.4Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.5 |
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