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83141-10-0 | 2,6-Difluoro-3-nitrobenzoic acid
CAS No: 83141-10-0 Catalog No: AG003G4A MDL No:MFCD00119291
Product Description
Catalog Number:
AG003G4A
Chemical Name:
2,6-Difluoro-3-nitrobenzoic acid
CAS Number:
83141-10-0
Molecular Formula:
C7H3F2NO4
Molecular Weight:
203.0998
MDL Number:
MFCD00119291
IUPAC Name:
2,6-difluoro-3-nitrobenzoic acid
InChI:
InChI=1S/C7H3F2NO4/c8-3-1-2-4(10(13)14)6(9)5(3)7(11)12/h1-2H,(H,11,12)
InChI Key:
PDDHSNODMFIIRV-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(c(c1F)C(=O)O)F
NSC Number:
190311
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.003g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
203.101g/mol
Monoisotopic Mass:
203.003g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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