200,000+ products from a single source!
sales@angenechem.com
Home > Fluorides > 124728-45-6
124728-45-6 | Benzoic acid, 4-ethoxy-2,3-difluoro-
CAS No: 124728-45-6 Catalog No: AG000MOB MDL No:MFCD02258849
Product Description
Catalog Number:
AG000MOB
Chemical Name:
Benzoic acid, 4-ethoxy-2,3-difluoro-
CAS Number:
124728-45-6
Molecular Formula:
C9H8F2O3
Molecular Weight:
202.1548
MDL Number:
MFCD02258849
IUPAC Name:
4-ethoxy-2,3-difluorobenzoic acid
InChI:
InChI=1S/C9H8F2O3/c1-2-14-6-4-3-5(9(12)13)7(10)8(6)11/h3-4H,2H2,1H3,(H,12,13)
InChI Key:
KMFHBAZUQFJVKK-UHFFFAOYSA-N
SMILES:
CCOc1ccc(c(c1F)F)C(=O)O
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.044g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
202.157g/mol
Monoisotopic Mass:
202.044g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.