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Home > Fluorides > 116465-48-6
116465-48-6 | Benzoic acid, 2,5-difluoro-4-nitro-
CAS No: 116465-48-6 Catalog No: AG000CKX MDL No:MFCD03425705
Product Description
Catalog Number:
AG000CKX
Chemical Name:
Benzoic acid, 2,5-difluoro-4-nitro-
CAS Number:
116465-48-6
Molecular Formula:
C7H3F2NO4
Molecular Weight:
203.0998
MDL Number:
MFCD03425705
IUPAC Name:
2,5-difluoro-4-nitrobenzoic acid
InChI:
InChI=1S/C7H3F2NO4/c8-4-2-6(10(13)14)5(9)1-3(4)7(11)12/h1-2H,(H,11,12)
InChI Key:
GPTNSBLYGCZJQV-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(F)c(cc1F)C(=O)O
NSC Number:
59332
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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