2-Chloro-4-(3-nitrophenyl)benzoic acid - CAS 1261894-36-3
Catalog: |
BB069814 |
Product Name: |
2-Chloro-4-(3-nitrophenyl)benzoic acid |
CAS: |
1261894-36-3 |
Synonyms: |
2-CHLORO-4-(3-NITROPHENYL)BENZOIC ACID; 3-Chloro-3'-nitro-[1,1'-biphenyl]-4-carboxylic acid; 3-Chloro-3'-nitro-[1,1'-biphenyl]-4-carboxylicacid |
IUPAC Name: | 2-chloro-4-(3-nitrophenyl)benzoic acid |
Description: | 2-Chloro-4-(3-nitrophenyl)benzoic acid |
Molecular Weight: | 277.66 |
Molecular Formula: | C13H8ClNO4 |
Canonical SMILES: | C1=CC(=CC(=C1)[N+](=O)[O-])C2=CC(=C(C=C2)C(=O)O)Cl |
InChI: | InChI=1S/C13H8ClNO4/c14-12-7-9(4-5-11(12)13(16)17)8-2-1-3-10(6-8)15(18)19/h1-7H,(H,16,17) |
InChI Key: | BIDCLZCLMBUQHP-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: | 277.0141854 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 277.0141854 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 83.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.5 |
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