200,000+ products from a single source!
sales@angenechem.com
Home > Fluorides > 1376259-20-9
1376259-20-9 | Benzoic acid, 4-cyano-2,6-difluoro-, methyl ester
CAS No: 1376259-20-9 Catalog No: AG0013MW MDL No:MFCD17170439
Product Description
Catalog Number:
AG0013MW
Chemical Name:
Benzoic acid, 4-cyano-2,6-difluoro-, methyl ester
CAS Number:
1376259-20-9
Molecular Formula:
C9H5F2NO2
Molecular Weight:
197.1383
MDL Number:
MFCD17170439
IUPAC Name:
methyl 4-cyano-2,6-difluorobenzoate
InChI:
InChI=1S/C9H5F2NO2/c1-14-9(13)8-6(10)2-5(4-12)3-7(8)11/h2-3H,1H3
InChI Key:
JNWKZRDYQQSUFZ-UHFFFAOYSA-N
SMILES:
COC(=O)c1c(F)cc(cc1F)C#N
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.029g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
197.141g/mol
Monoisotopic Mass:
197.029g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.