3-(2-Chloro-4-methylphenyl)-5-nitrobenzoic acid - CAS 1261967-52-5
Catalog: |
BB069337 |
Product Name: |
3-(2-Chloro-4-methylphenyl)-5-nitrobenzoic acid |
CAS: |
1261967-52-5 |
Synonyms: |
3-(2-CHLORO-4-METHYLPHENYL)-5-NITROBENZOIC ACID; 2'-Chloro-4'-methyl-5-nitro-[1,1'-biphenyl]-3-carboxylic acid; 2/'-Chloro-4/'-Methyl-5-nitro-[1,1/'-biphenyl]-3-carboxylic acid; 2'-Chloro-4'-methyl-5-nitro-[1,1'-biphenyl]-3-carboxylicacid |
IUPAC Name: | 3-(2-chloro-4-methylphenyl)-5-nitrobenzoic acid |
Description: | 3-(2-Chloro-4-methylphenyl)-5-nitrobenzoic acid |
Molecular Weight: | 291.69 |
Molecular Formula: | C14H10ClNO4 |
Canonical SMILES: | CC1=CC(=C(C=C1)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)O)Cl |
InChI: | InChI=1S/C14H10ClNO4/c1-8-2-3-12(13(15)4-8)9-5-10(14(17)18)7-11(6-9)16(19)20/h2-7H,1H3,(H,17,18) |
InChI Key: | RZGAQDGKJGIPPL-UHFFFAOYSA-N |
Complexity: | 384 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 291.0298355 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 291.0298355 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 83.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.9 |
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