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Home > Fluorides > 127510-96-7
127510-96-7 | Benzoic acid, 2-cyano-4-fluoro-, methyl ester
CAS No: 127510-96-7 Catalog No: AG000X4H MDL No:MFCD11975805
Product Description
Catalog Number:
AG000X4H
Chemical Name:
Benzoic acid, 2-cyano-4-fluoro-, methyl ester
CAS Number:
127510-96-7
Molecular Formula:
C9H6FNO2
Molecular Weight:
179.1478
MDL Number:
MFCD11975805
IUPAC Name:
methyl 2-cyano-4-fluorobenzoate
InChI:
InChI=1S/C9H6FNO2/c1-13-9(12)8-3-2-7(10)4-6(8)5-11/h2-4H,1H3
InChI Key:
BCYCPVRVZPDHEC-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cc1C#N)F
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.038g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
179.15g/mol
Monoisotopic Mass:
179.038g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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