200,000+ products from a single source!
sales@angenechem.com
Home > Carboxes > 1214386-96-5
1214386-96-5 | Benzoic acid, 5-chloro-2,3-difluoro-, methyl ester
CAS No: 1214386-96-5 Catalog No: AG0014ZD MDL No:
Product Description
Catalog Number:
AG0014ZD
Chemical Name:
Benzoic acid, 5-chloro-2,3-difluoro-, methyl ester
CAS Number:
1214386-96-5
Molecular Formula:
C8H5ClF2O2
Molecular Weight:
206.5739
IUPAC Name:
methyl 5-chloro-2,3-difluorobenzoate
InChI:
InChI=1S/C8H5ClF2O2/c1-13-8(12)5-2-4(9)3-6(10)7(5)11/h2-3H,1H3
InChI Key:
KTSQPWIVLVLKEH-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(Cl)cc(c1F)F
Properties
Complexity:
201
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.995g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
206.573g/mol
Monoisotopic Mass:
205.995g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.