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Home > Fluorides > 875664-52-1
875664-52-1 | 3,4-Difluoro-2-methoxybenzoic acid
CAS No: 875664-52-1 Catalog No: AG003IGR MDL No:MFCD03428593
Product Description
Catalog Number:
AG003IGR
Chemical Name:
3,4-Difluoro-2-methoxybenzoic acid
CAS Number:
875664-52-1
Molecular Formula:
C8H6F2O3
Molecular Weight:
188.1282
MDL Number:
MFCD03428593
IUPAC Name:
3,4-difluoro-2-methoxybenzoic acid
InChI:
InChI=1S/C8H6F2O3/c1-13-7-4(8(11)12)2-3-5(9)6(7)10/h2-3H,1H3,(H,11,12)
InChI Key:
BGBIVLWLYHILBQ-UHFFFAOYSA-N
SMILES:
COc1c(ccc(c1F)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:
188.029g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
188.13g/mol
Monoisotopic Mass:
188.029g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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