200,000+ products from a single source!
sales@angenechem.com
Home > Carboxes > 1261869-14-0
1261869-14-0 | Benzoic acid, 2-chloro-4,6-difluoro-, methyl ester
CAS No: 1261869-14-0 Catalog No: AG000S28 MDL No:
Product Description
Catalog Number:
AG000S28
Chemical Name:
Benzoic acid, 2-chloro-4,6-difluoro-, methyl ester
CAS Number:
1261869-14-0
Molecular Formula:
C8H5ClF2O2
Molecular Weight:
206.5739
IUPAC Name:
methyl 2-chloro-4,6-difluorobenzoate
InChI:
InChI=1S/C8H5ClF2O2/c1-13-8(12)7-5(9)2-4(10)3-6(7)11/h2-3H,1H3
InChI Key:
AGTGSYGWBGMUSG-UHFFFAOYSA-N
SMILES:
COC(=O)c1c(F)cc(cc1Cl)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:
2.5
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.