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89634-76-4 | Benzene, 1-chloro-2-fluoro-4-nitro-5-(trifluoromethyl)-
CAS No: 89634-76-4 Catalog No: AG003W5W MDL No:
Product Description
Catalog Number:
AG003W5W
Chemical Name:
Benzene, 1-chloro-2-fluoro-4-nitro-5-(trifluoromethyl)-
CAS Number:
89634-76-4
Molecular Formula:
C7H2ClF4NO2
Molecular Weight:
243.5429
IUPAC Name:
1-chloro-2-fluoro-4-nitro-5-(trifluoromethyl)benzene
InChI:
InChI=1S/C7H2ClF4NO2/c8-4-1-3(7(10,11)12)6(13(14)15)2-5(4)9/h1-2H
InChI Key:
BNRUORLMVKXHTL-UHFFFAOYSA-N
SMILES:
Clc1cc(c(cc1F)[N+](=O)[O-])C(F)(F)F
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.971g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
243.542g/mol
Monoisotopic Mass:
242.971g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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