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1587-41-3 | Methane, dichlorodinitro-
CAS No: 1587-41-3 Catalog No: AG001QRM MDL No:
Product Description
Catalog Number:
AG001QRM
Chemical Name:
Methane, dichlorodinitro-
CAS Number:
1587-41-3
Molecular Formula:
CCl2N2O4
Molecular Weight:
174.9277
IUPAC Name:
dichloro(dinitro)methane
InChI:
InChI=1S/CCl2N2O4/c2-1(3,4(6)7)5(8)9
InChI Key:
VLWDJCZBZPKOGX-UHFFFAOYSA-N
SMILES:
ClC([N+](=O)[O-])([N+](=O)[O-])Cl
Properties
Complexity:
128
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.924g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
174.921g/mol
Monoisotopic Mass:
173.924g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
91.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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