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25218-94-4 | Benzene, 1-nitro-3,5-bis(trichloromethyl)-
CAS No: 25218-94-4 Catalog No: AG002QYT MDL No:
Product Description
Catalog Number:
AG002QYT
Chemical Name:
Benzene, 1-nitro-3,5-bis(trichloromethyl)-
CAS Number:
25218-94-4
Molecular Formula:
C8H3Cl6NO2
Molecular Weight:
357.8329
IUPAC Name:
1-nitro-3,5-bis(trichloromethyl)benzene
InChI:
InChI=1S/C8H3Cl6NO2/c9-7(10,11)4-1-5(8(12,13)14)3-6(2-4)15(16)17/h1-3H
InChI Key:
HLKVXLAXMFMARO-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(cc(c1)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
356.827g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
357.817g/mol
Monoisotopic Mass:
354.829g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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