2-Chloro-4-[4-(N,N-dimethylaminocarbonyl)phenyl]benzoic acid - CAS 1261915-64-3
Catalog: |
BB062343 |
Product Name: |
2-Chloro-4-[4-(N,N-dimethylaminocarbonyl)phenyl]benzoic acid |
CAS: |
1261915-64-3 |
Synonyms: |
3-Chloro-4'-(dimethylcarbamoyl)-[1,1'-biphenyl]-4-carboxylic acid; 2-CHLORO-4-[4-(N,N-DIMETHYLAMINOCARBONYL)PHENYL]BENZOIC ACID; 2-chloro-4-[4-(dimethylcarbamoyl)phenyl]benzoic acid; 3-Chloro-4'-(dimethylcarbamoyl)-[1,1'-biphenyl]-4-carboxylicacid |
IUPAC Name: | 2-chloro-4-[4-(dimethylcarbamoyl)phenyl]benzoic acid |
Description: | 2-Chloro-4-[4-(N,N-dimethylaminocarbonyl)phenyl]benzoic acid |
Molecular Weight: | 303.74 |
Molecular Formula: | C16H14ClNO3 |
Canonical SMILES: | CN(C)C(=O)C1=CC=C(C=C1)C2=CC(=C(C=C2)C(=O)O)Cl |
InChI: | InChI=1S/C16H14ClNO3/c1-18(2)15(19)11-5-3-10(4-6-11)12-7-8-13(16(20)21)14(17)9-12/h3-9H,1-2H3,(H,20,21) |
InChI Key: | YZDCJNKVOIMOSA-UHFFFAOYSA-N |
Complexity: | 391 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 303.066221 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 303.066221 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 57.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.2 |
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