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1381944-51-9 | [1,1'-Biphenyl]-3-carboxylic acid, 2-fluoro-3'-(1-pyrrolidinylcarbonyl)-, methyl ester
CAS No: 1381944-51-9 Catalog No: AG00186U MDL No:MFCD22375052
Product Description
Catalog Number:
AG00186U
Chemical Name:
[1,1'-Biphenyl]-3-carboxylic acid, 2-fluoro-3'-(1-pyrrolidinylcarbonyl)-, methyl ester
CAS Number:
1381944-51-9
Molecular Formula:
C19H18FNO3
Molecular Weight:
327.3495
MDL Number:
MFCD22375052
IUPAC Name:
methyl 2-fluoro-3-[3-(pyrrolidine-1-carbonyl)phenyl]benzoate
InChI:
InChI=1S/C19H18FNO3/c1-24-19(23)16-9-5-8-15(17(16)20)13-6-4-7-14(12-13)18(22)21-10-2-3-11-21/h4-9,12H,2-3,10-11H2,1H3
InChI Key:
YYDYDLLHHOMQGP-UHFFFAOYSA-N
SMILES:
COC(=O)c1cccc(c1F)c1cccc(c1)C(=O)N1CCCC1
Properties
Complexity:
464
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
327.127g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
327.355g/mol
Monoisotopic Mass:
327.127g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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