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400-74-8 | 1-Fluoro-4-nitro-2-(trifluoromethyl)benzene
CAS No: 400-74-8 Catalog No: AG003H8D MDL No:MFCD00024576
Product Description
Catalog Number:
AG003H8D
Chemical Name:
1-Fluoro-4-nitro-2-(trifluoromethyl)benzene
CAS Number:
400-74-8
Molecular Formula:
C7H3F4NO2
Molecular Weight:
209.0978
MDL Number:
MFCD00024576
IUPAC Name:
1-fluoro-4-nitro-2-(trifluoromethyl)benzene
InChI:
InChI=1S/C7H3F4NO2/c8-6-2-1-4(12(13)14)3-5(6)7(9,10)11/h1-3H
InChI Key:
DNTHMWUMRGOJRY-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(c(c1)C(F)(F)F)F
EC Number:
206-925-8
NSC Number:
10302
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.01g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
209.1g/mol
Monoisotopic Mass:
209.01g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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