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Home > Fluorides > 115549-15-0
115549-15-0 | Benzoic acid, 2,4,5-trifluoro-3-nitro-
CAS No: 115549-15-0 Catalog No: AG000G5H MDL No:MFCD06658250
Product Description
Catalog Number:
AG000G5H
Chemical Name:
Benzoic acid, 2,4,5-trifluoro-3-nitro-
CAS Number:
115549-15-0
Molecular Formula:
C7H2F3NO4
Molecular Weight:
221.0903
MDL Number:
MFCD06658250
IUPAC Name:
2,4,5-trifluoro-3-nitrobenzoic acid
InChI:
InChI=1S/C7H2F3NO4/c8-3-1-2(7(12)13)4(9)6(5(3)10)11(14)15/h1H,(H,12,13)
InChI Key:
ZFJAWLRXFKLNKV-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(F)c(c(c1F)[N+](=O)[O-])F
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.994g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
221.091g/mol
Monoisotopic Mass:
220.994g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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