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Home > Fluorides > 916483-56-2
916483-56-2 | 4-Ethoxy-2,6-difluorobenzoic acid
CAS No: 916483-56-2 Catalog No: AG003A6G MDL No:MFCD13196576
Product Description
Catalog Number:
AG003A6G
Chemical Name:
4-Ethoxy-2,6-difluorobenzoic acid
CAS Number:
916483-56-2
Molecular Formula:
C9H8F2O3
Molecular Weight:
202.1548
MDL Number:
MFCD13196576
IUPAC Name:
4-ethoxy-2,6-difluorobenzoic acid
InChI:
InChI=1S/C9H8F2O3/c1-2-14-5-3-6(10)8(9(12)13)7(11)4-5/h3-4H,2H2,1H3,(H,12,13)
InChI Key:
CRVNWKFFDWXCGB-UHFFFAOYSA-N
SMILES:
CCOc1cc(F)c(c(c1)F)C(=O)O
Properties
Complexity:
198
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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