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Home > Fluorides > 1389313-52-3
1389313-52-3 | 2-Fluoro-5-trifluoromethyl-3-nitrobenzoic acid
CAS No: 1389313-52-3 Catalog No: AG01FA39 MDL No:MFCD22273734
Product Description
Catalog Number:
AG01FA39
Chemical Name:
2-Fluoro-5-trifluoromethyl-3-nitrobenzoic acid
CAS Number:
1389313-52-3
Molecular Formula:
C8H3F4NO4
Molecular Weight:
253.1073
MDL Number:
MFCD22273734
IUPAC Name:
2-fluoro-3-nitro-5-(trifluoromethyl)benzoic acid
InChI:
InChI=1S/C8H3F4NO4/c9-6-4(7(14)15)1-3(8(10,11)12)2-5(6)13(16)17/h1-2H,(H,14,15)
InChI Key:
FEGCOZKWDPXHID-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(cc(c1F)[N+](=O)[O-])C(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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