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16663-08-4 | Benzene, 1-nitro-4-(3,3,3-trichloro-1-methylenepropyl)-
CAS No: 16663-08-4 Catalog No: AG001WVD MDL No:
Product Description
Catalog Number:
AG001WVD
Chemical Name:
Benzene, 1-nitro-4-(3,3,3-trichloro-1-methylenepropyl)-
CAS Number:
16663-08-4
Molecular Formula:
C10H8Cl3NO2
Molecular Weight:
280.5350
IUPAC Name:
1-nitro-4-(4,4,4-trichlorobut-1-en-2-yl)benzene
InChI:
InChI=1S/C10H8Cl3NO2/c1-7(6-10(11,12)13)8-2-4-9(5-3-8)14(15)16/h2-5H,1,6H2
InChI Key:
UNKBOXSMWMVGKG-UHFFFAOYSA-N
SMILES:
C=C(c1ccc(cc1)[N+](=O)[O-])CC(Cl)(Cl)Cl
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.962g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
280.529g/mol
Monoisotopic Mass:
278.962g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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