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2972-95-4 | Ethane, 1-chloro-1,1-dinitro-
CAS No: 2972-95-4 Catalog No: AG002Z8D MDL No:
Product Description
Catalog Number:
AG002Z8D
Chemical Name:
Ethane, 1-chloro-1,1-dinitro-
CAS Number:
2972-95-4
Molecular Formula:
C2H3ClN2O4
Molecular Weight:
154.5092
IUPAC Name:
1-chloro-1,1-dinitroethane
InChI:
InChI=1S/C2H3ClN2O4/c1-2(3,4(6)7)5(8)9/h1H3
InChI Key:
WCEVKBJRFBEDHR-UHFFFAOYSA-N
SMILES:
CC([N+](=O)[O-])([N+](=O)[O-])Cl
Properties
Complexity:
132
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
153.978g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
154.506g/mol
Monoisotopic Mass:
153.978g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
91.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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