2-Chloro-4-(4-cyanophenyl)benzoic acid - CAS 1261945-47-4
Catalog: |
BB069833 |
Product Name: |
2-Chloro-4-(4-cyanophenyl)benzoic acid |
CAS: |
1261945-47-4 |
Synonyms: |
2-CHLORO-4-(4-CYANOPHENYL)BENZOIC ACID; 3-Chloro-4'-cyano-[1,1'-biphenyl]-4-carboxylic acid; 3-Chloro-4'-cyano-[1,1'-biphenyl]-4-carboxylicacid; 3-Chloro-4'-cyano[1,1'-biphenyl]-4-carboxylic acid |
IUPAC Name: | 2-chloro-4-(4-cyanophenyl)benzoic acid |
Description: | 2-Chloro-4-(4-cyanophenyl)benzoic acid |
Molecular Weight: | 257.67 |
Molecular Formula: | C14H8ClNO2 |
Canonical SMILES: | C1=CC(=CC=C1C#N)C2=CC(=C(C=C2)C(=O)O)Cl |
InChI: | InChI=1S/C14H8ClNO2/c15-13-7-11(5-6-12(13)14(17)18)10-3-1-9(8-16)2-4-10/h1-7H,(H,17,18) |
InChI Key: | AFHPJWJSDUYNJK-UHFFFAOYSA-N |
Complexity: | 354 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 257.0243562 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 257.0243562 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 61.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.4 |
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