3-[4-(Ethylcarbamoyl)-3-fluorophenyl]-4-fluorobenzoic acid - CAS 1261909-44-7
Catalog: |
BB065806 |
Product Name: |
3-[4-(Ethylcarbamoyl)-3-fluorophenyl]-4-fluorobenzoic acid |
CAS: |
1261909-44-7 |
Synonyms: |
4'-(Ethylcarbamoyl)-3',6-difluoro-[1,1'-biphenyl]-3-carboxylic acid; 3-[4-(ETHYLCARBAMOYL)-3-FLUOROPHENYL]-4-FLUOROBENZOIC ACID; 4'-(Ethylcarbamoyl)-3',6-difluoro-[1,1'-biphenyl]-3-carboxylicacid |
IUPAC Name: | 3-[4-(ethylcarbamoyl)-3-fluorophenyl]-4-fluorobenzoic acid |
Description: | 3-[4-(Ethylcarbamoyl)-3-fluorophenyl]-4-fluorobenzoic acid |
Molecular Weight: | 305.28 |
Molecular Formula: | C16H13F2NO3 |
Canonical SMILES: | CCNC(=O)C1=C(C=C(C=C1)C2=C(C=CC(=C2)C(=O)O)F)F |
InChI: | InChI=1S/C16H13F2NO3/c1-2-19-15(20)11-5-3-9(8-14(11)18)12-7-10(16(21)22)4-6-13(12)17/h3-8H,2H2,1H3,(H,19,20)(H,21,22) |
InChI Key: | ZBCMEMCAMPNWSE-UHFFFAOYSA-N |
Complexity: | 418 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 305.0863496 |
Formal Charge: | 0 |
Heavy Atom Count: | 22 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 305.0863496 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 66.4Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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