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158579-81-8 | Benzene, 2-chloro-4-nitro-1-(trifluoromethoxy)-
CAS No: 158579-81-8 Catalog No: AG001QB0 MDL No:MFCD12032157
Product Description
Catalog Number:
AG001QB0
Chemical Name:
Benzene, 2-chloro-4-nitro-1-(trifluoromethoxy)-
CAS Number:
158579-81-8
Molecular Formula:
C7H3ClF3NO3
Molecular Weight:
241.5518
MDL Number:
MFCD12032157
IUPAC Name:
2-chloro-4-nitro-1-(trifluoromethoxy)benzene
InChI:
InChI=1S/C7H3ClF3NO3/c8-5-3-4(12(13)14)1-2-6(5)15-7(9,10)11/h1-3H
InChI Key:
XPGDBZMLVQPKOX-UHFFFAOYSA-N
SMILES:
Clc1cc(ccc1OC(F)(F)F)[N+](=O)[O-]
EC Number:
917-665-6
Properties
Complexity:
243
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.975g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
241.55g/mol
Monoisotopic Mass:
240.975g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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