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88548-95-2 | 2-Butenedinitrile, 2-amino-3-[2-(4-chlorophenyl)-1-aziridinyl]-, (Z)-
CAS No: 88548-95-2 Catalog No: AG004FQ8 MDL No:
Product Description
Catalog Number:
AG004FQ8
Chemical Name:
2-Butenedinitrile, 2-amino-3-[2-(4-chlorophenyl)-1-aziridinyl]-, (Z)-
CAS Number:
88548-95-2
Molecular Formula:
C12H9ClN4
Molecular Weight:
244.6797
IUPAC Name:
2-amino-3-[2-(4-chlorophenyl)aziridin-1-yl]but-2-enedinitrile
InChI:
InChI=1S/C12H9ClN4/c13-9-3-1-8(2-4-9)12-7-17(12)11(6-15)10(16)5-14/h1-4,12H,7,16H2
InChI Key:
VJONBLYTIAHLPQ-UHFFFAOYSA-N
SMILES:
N#C/C(=C(\C#N)/N)/N1CC1c1ccc(cc1)Cl
Properties
Complexity:
430
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.052g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
244.682g/mol
Monoisotopic Mass:
244.052g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
76.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
1.7
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