200,000+ products from a single source!
sales@angenechem.com
Home > Carboxes > 1214375-02-6
1214375-02-6 | Benzoic acid, 3-chloro-2,4,5-trifluoro-, methyl ester
CAS No: 1214375-02-6 Catalog No: AG0014X7 MDL No:MFCD12911498
Product Description
Catalog Number:
AG0014X7
Chemical Name:
Benzoic acid, 3-chloro-2,4,5-trifluoro-, methyl ester
CAS Number:
1214375-02-6
Molecular Formula:
C8H4ClF3O2
Molecular Weight:
224.5644
MDL Number:
MFCD12911498
IUPAC Name:
methyl 3-chloro-2,4,5-trifluorobenzoate
InChI:
InChI=1S/C8H4ClF3O2/c1-14-8(13)3-2-4(10)7(12)5(9)6(3)11/h2H,1H3
InChI Key:
MKOVSUSDISTLPH-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(F)c(c(c1F)Cl)F
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.985g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.563g/mol
Monoisotopic Mass:
223.985g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.