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Home > Fluorides > 878572-17-9
878572-17-9 | 4-Fluoro-3-nitro-5-(trifluoromethyl)benzoic acid, 97%
CAS No: 878572-17-9 Catalog No: AG003LEE MDL No:MFCD08282778
Product Description
Catalog Number:
AG003LEE
Chemical Name:
4-Fluoro-3-nitro-5-(trifluoromethyl)benzoic acid, 97%
CAS Number:
878572-17-9
Molecular Formula:
C8H3F4NO4
Molecular Weight:
253.1073
MDL Number:
MFCD08282778
IUPAC Name:
4-fluoro-3-nitro-5-(trifluoromethyl)benzoic acid
InChI:
InChI=1S/C8H3F4NO4/c9-6-4(8(10,11)12)1-3(7(14)15)2-5(6)13(16)17/h1-2H,(H,14,15)
InChI Key:
XCZRYPKVIJEHSU-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc([N+](=O)[O-])c(c(c1)C(F)(F)F)F
Properties
Complexity:
327
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
253.109g/mol
Monoisotopic Mass:
253g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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