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425702-18-7 | 4,5-Difluoro-2-methoxybenzoic acid
CAS No: 425702-18-7 Catalog No: AG0033V8 MDL No:MFCD06660196
Product Description
Catalog Number:
AG0033V8
Chemical Name:
4,5-Difluoro-2-methoxybenzoic acid
CAS Number:
425702-18-7
Molecular Formula:
C8H6F2O3
Molecular Weight:
188.1282
MDL Number:
MFCD06660196
IUPAC Name:
4,5-difluoro-2-methoxybenzoic acid
InChI:
InChI=1S/C8H6F2O3/c1-13-7-3-6(10)5(9)2-4(7)8(11)12/h2-3H,1H3,(H,11,12)
InChI Key:
GMFHKGUQWAQEIW-UHFFFAOYSA-N
SMILES:
COc1cc(F)c(cc1C(=O)O)F
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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