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18959-31-4 | 1,2-Benzenedicarboxylic acid, 4,5-difluoro-
CAS No: 18959-31-4 Catalog No: AG002DSE MDL No:MFCD00077514
Product Description
Catalog Number:
AG002DSE
Chemical Name:
1,2-Benzenedicarboxylic acid, 4,5-difluoro-
CAS Number:
18959-31-4
Molecular Formula:
C8H4F2O4
Molecular Weight:
202.1118
MDL Number:
MFCD00077514
IUPAC Name:
4,5-difluorophthalic acid
InChI:
InChI=1S/C8H4F2O4/c9-5-1-3(7(11)12)4(8(13)14)2-6(5)10/h1-2H,(H,11,12)(H,13,14)
InChI Key:
FFSBOABNRUJQFW-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(F)c(cc1C(=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:
1.2
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