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1630-09-7 | Benzene, 2,4-dichloro-1,3,5-trinitro-
CAS No: 1630-09-7 Catalog No: AG001TM8 MDL No:
Product Description
Catalog Number:
AG001TM8
Chemical Name:
Benzene, 2,4-dichloro-1,3,5-trinitro-
CAS Number:
1630-09-7
Molecular Formula:
C6HCl2N3O6
Molecular Weight:
281.9946
IUPAC Name:
2,4-dichloro-1,3,5-trinitrobenzene
InChI:
InChI=1S/C6HCl2N3O6/c7-4-2(9(12)13)1-3(10(14)15)5(8)6(4)11(16)17/h1H
InChI Key:
VNOJQYPHLMLHGQ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc([N+](=O)[O-])c(c(c1Cl)[N+](=O)[O-])Cl
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.924g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
281.989g/mol
Monoisotopic Mass:
280.924g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
138A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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