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651-97-8 | 3,6-Difluorophthalic acid
CAS No: 651-97-8 Catalog No: AG003IQE MDL No:MFCD03840499
Product Description
Catalog Number:
AG003IQE
Chemical Name:
3,6-Difluorophthalic acid
CAS Number:
651-97-8
Molecular Formula:
C8H4F2O4
Molecular Weight:
202.1118
MDL Number:
MFCD03840499
IUPAC Name:
3,6-difluorophthalic acid
InChI:
InChI=1S/C8H4F2O4/c9-3-1-2-4(10)6(8(13)14)5(3)7(11)12/h1-2H,(H,11,12)(H,13,14)
InChI Key:
VFLMWMTWWZGXGA-UHFFFAOYSA-N
SMILES:
OC(=O)c1c(F)ccc(c1C(=O)O)F
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.008g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
202.113g/mol
Monoisotopic Mass:
202.008g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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