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Home > Fluorides > 1379315-07-7
1379315-07-7 | 4,5-Difluoro-3-ethoxybenzoic acid
CAS No: 1379315-07-7 Catalog No: AG01FEF4 MDL No:
Product Description
Catalog Number:
AG01FEF4
Chemical Name:
4,5-Difluoro-3-ethoxybenzoic acid
CAS Number:
1379315-07-7
Molecular Formula:
C9H8F2O3
Molecular Weight:
202.1548
IUPAC Name:
3-ethoxy-4,5-difluorobenzoic acid
InChI:
InChI=1S/C9H8F2O3/c1-2-14-7-4-5(9(12)13)3-6(10)8(7)11/h3-4H,2H2,1H3,(H,12,13)
InChI Key:
FRXXOPZIVDCGAR-UHFFFAOYSA-N
SMILES:
CCOc1cc(cc(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
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