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Home > Fluorides > 1003709-80-5
1003709-80-5 | Benzoic acid, 2,4-difluoro-3,5-dimethoxy-
CAS No: 1003709-80-5 Catalog No: AG0001RV MDL No:MFCD09839225
Product Description
Catalog Number:
AG0001RV
Chemical Name:
Benzoic acid, 2,4-difluoro-3,5-dimethoxy-
CAS Number:
1003709-80-5
Molecular Formula:
C9H8F2O4
Molecular Weight:
218.1542
MDL Number:
MFCD09839225
IUPAC Name:
2,4-difluoro-3,5-dimethoxybenzoic acid
InChI:
InChI=1S/C9H8F2O4/c1-14-5-3-4(9(12)13)6(10)8(15-2)7(5)11/h3H,1-2H3,(H,12,13)
InChI Key:
LLRUPRYHYIFLJS-UHFFFAOYSA-N
SMILES:
COc1cc(C(=O)O)c(c(c1F)OC)F
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.039g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
218.156g/mol
Monoisotopic Mass:
218.039g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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