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1381944-66-6 | [1,1'-Biphenyl]-3-carboxylic acid, 4'-[(ethylamino)carbonyl]-2,3'-difluoro-, methyl ester
CAS No: 1381944-66-6 Catalog No: AG00187T MDL No:MFCD22375055
Product Description
Catalog Number:
AG00187T
Chemical Name:
[1,1'-Biphenyl]-3-carboxylic acid, 4'-[(ethylamino)carbonyl]-2,3'-difluoro-, methyl ester
CAS Number:
1381944-66-6
Molecular Formula:
C17H15F2NO3
Molecular Weight:
319.3027
MDL Number:
MFCD22375055
IUPAC Name:
methyl 3-[4-(ethylcarbamoyl)-3-fluorophenyl]-2-fluorobenzoate
InChI:
InChI=1S/C17H15F2NO3/c1-3-20-16(21)12-8-7-10(9-14(12)18)11-5-4-6-13(15(11)19)17(22)23-2/h4-9H,3H2,1-2H3,(H,20,21)
InChI Key:
FAWNCHMMDLYRDZ-UHFFFAOYSA-N
SMILES:
CCNC(=O)c1ccc(cc1F)c1cccc(c1F)C(=O)OC
Properties
Complexity:
432
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.102g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
319.308g/mol
Monoisotopic Mass:
319.102g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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