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1381944-34-8 | [1,1'-Biphenyl]-3-carboxylic acid, 4'-[(dimethylamino)carbonyl]-2-fluoro-, methyl ester
CAS No: 1381944-34-8 Catalog No: AG00185U MDL No:MFCD22375050
Product Description
Catalog Number:
AG00185U
Chemical Name:
[1,1'-Biphenyl]-3-carboxylic acid, 4'-[(dimethylamino)carbonyl]-2-fluoro-, methyl ester
CAS Number:
1381944-34-8
Molecular Formula:
C17H16FNO3
Molecular Weight:
301.3122
MDL Number:
MFCD22375050
IUPAC Name:
methyl 3-[4-(dimethylcarbamoyl)phenyl]-2-fluorobenzoate
InChI:
InChI=1S/C17H16FNO3/c1-19(2)16(20)12-9-7-11(8-10-12)13-5-4-6-14(15(13)18)17(21)22-3/h4-10H,1-3H3
InChI Key:
LOVCCNFPNFQVGE-UHFFFAOYSA-N
SMILES:
COC(=O)c1cccc(c1F)c1ccc(cc1)C(=O)N(C)C
Properties
Complexity:
405
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.111g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
301.317g/mol
Monoisotopic Mass:
301.111g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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