2-[3-(N-Methylaminocarbonyl)phenyl]benzoic acid - CAS 1261941-21-2
Catalog: |
BB076109 |
Product Name: |
2-[3-(N-Methylaminocarbonyl)phenyl]benzoic acid |
CAS: |
1261941-21-2 |
Synonyms: |
2-[3-(N-METHYLAMINOCARBONYL)PHENYL]BENZOIC ACID; 3'-(Methylcarbamoyl)-[1,1'-biphenyl]-2-carboxylic acid; 2-[3-(methylcarbamoyl)phenyl]benzoic acid; 3'-(Methylcarbamoyl)-[1,1'-biphenyl]-2-carboxylicacid |
IUPAC Name: | 2-[3-(methylcarbamoyl)phenyl]benzoic acid |
Description: | 2-[3-(N-Methylaminocarbonyl)phenyl]benzoic acid |
Molecular Weight: | 255.27 |
Molecular Formula: | C15H13NO3 |
Canonical SMILES: | CNC(=O)C1=CC=CC(=C1)C2=CC=CC=C2C(=O)O |
InChI: | InChI=1S/C15H13NO3/c1-16-14(17)11-6-4-5-10(9-11)12-7-2-3-8-13(12)15(18)19/h2-9H,1H3,(H,16,17)(H,18,19) |
InChI Key: | RMSUIHDURDTCKI-UHFFFAOYSA-N |
Complexity: | 342 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 255.08954328 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 255.08954328 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 66.4Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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