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Home > Fluorides > 1373232-83-7
1373232-83-7 | Benzoic acid, 3-fluoro-5-(5-methoxy-3-pyridinyl)-, methyl ester
CAS No: 1373232-83-7 Catalog No: AG00134C MDL No:MFCD22192485
Product Description
Catalog Number:
AG00134C
Chemical Name:
Benzoic acid, 3-fluoro-5-(5-methoxy-3-pyridinyl)-, methyl ester
CAS Number:
1373232-83-7
Molecular Formula:
C14H12FNO3
Molecular Weight:
261.2484
MDL Number:
MFCD22192485
IUPAC Name:
methyl 3-fluoro-5-(5-methoxypyridin-3-yl)benzoate
InChI:
InChI=1S/C14H12FNO3/c1-18-13-6-11(7-16-8-13)9-3-10(14(17)19-2)5-12(15)4-9/h3-8H,1-2H3
InChI Key:
CNDQUTPDFLBMTF-UHFFFAOYSA-N
SMILES:
COc1cncc(c1)c1cc(F)cc(c1)C(=O)OC
Properties
Complexity:
313
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.08g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
261.252g/mol
Monoisotopic Mass:
261.08g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
48.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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