4-(3-Carboxyphenyl)-2-chlorobenzoic acid - CAS 1261992-51-1
Catalog: |
BB055510 |
Product Name: |
4-(3-Carboxyphenyl)-2-chlorobenzoic acid |
CAS: |
1261992-51-1 |
Synonyms: |
3'-Chloro-[1,1'-biphenyl]-3,4'-dicarboxylic acid; 4-(3-CARBOXYPHENYL)-2-CHLOROBENZOIC ACID; 3'-Chloro-[1,1'-biphenyl]-3,4'-dicarboxylicacid |
IUPAC Name: | 4-(3-carboxyphenyl)-2-chlorobenzoic acid |
Description: | 4-(3-Carboxyphenyl)-2-chlorobenzoic acid |
Molecular Weight: | 276.67 |
Molecular Formula: | C14H9ClO4 |
Canonical SMILES: | C1=CC(=CC(=C1)C(=O)O)C2=CC(=C(C=C2)C(=O)O)Cl |
InChI: | InChI=1S/C14H9ClO4/c15-12-7-9(4-5-11(12)14(18)19)8-2-1-3-10(6-8)13(16)17/h1-7H,(H,16,17)(H,18,19) |
InChI Key: | SEOIMCAUVMASRO-UHFFFAOYSA-N |
Complexity: | 357 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 276.0189365 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 276.0189365 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 74.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.2 |
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