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Home > Fluorides > 178974-97-5
178974-97-5 | Benzoic acid, 2,4-difluoro-3-methoxy-
CAS No: 178974-97-5 Catalog No: AG0026JE MDL No:MFCD02258905
Product Description
Catalog Number:
AG0026JE
Chemical Name:
Benzoic acid, 2,4-difluoro-3-methoxy-
CAS Number:
178974-97-5
Molecular Formula:
C8H6F2O3
Molecular Weight:
188.1282
MDL Number:
MFCD02258905
IUPAC Name:
2,4-difluoro-3-methoxybenzoic acid
InChI:
InChI=1S/C8H6F2O3/c1-13-7-5(9)3-2-4(6(7)10)8(11)12/h2-3H,1H3,(H,11,12)
InChI Key:
KWLIGHXPUYUTBH-UHFFFAOYSA-N
SMILES:
COc1c(F)ccc(c1F)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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