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75985-21-6 | 2-Aziridinecarbonitrile, 1-(2,2-dichloroethyl)-
CAS No: 75985-21-6 Catalog No: AG005GTR MDL No:
Product Description
Catalog Number:
AG005GTR
Chemical Name:
2-Aziridinecarbonitrile, 1-(2,2-dichloroethyl)-
CAS Number:
75985-21-6
Molecular Formula:
C5H6Cl2N2
Molecular Weight:
165.0205
IUPAC Name:
1-(2,2-dichloroethyl)aziridine-2-carbonitrile
InChI:
InChI=1S/C5H6Cl2N2/c6-5(7)3-9-2-4(9)1-8/h4-5H,2-3H2
InChI Key:
FLWGCYLFRPRTGF-UHFFFAOYSA-N
SMILES:
ClC(CN1CC1C#N)Cl
Properties
Complexity:
148
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.991g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
165.017g/mol
Monoisotopic Mass:
163.991g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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