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177716-70-0 | Benzene, 4-(2-chlorophenoxy)-1-nitro-2-(trifluoromethyl)-
CAS No: 177716-70-0 Catalog No: AG0025HL MDL No:
Product Description
Catalog Number:
AG0025HL
Chemical Name:
Benzene, 4-(2-chlorophenoxy)-1-nitro-2-(trifluoromethyl)-
CAS Number:
177716-70-0
Molecular Formula:
C13H7ClF3NO3
Molecular Weight:
317.6478
IUPAC Name:
4-(2-chlorophenoxy)-1-nitro-2-(trifluoromethyl)benzene
InChI:
InChI=1S/C13H7ClF3NO3/c14-10-3-1-2-4-12(10)21-8-5-6-11(18(19)20)9(7-8)13(15,16)17/h1-7H
InChI Key:
KNSRLNVYSCYTNW-UHFFFAOYSA-N
SMILES:
Clc1ccccc1Oc1ccc(c(c1)C(F)(F)F)[N+](=O)[O-]
Properties
Complexity:
375
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.007g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
317.648g/mol
Monoisotopic Mass:
317.007g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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