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501102-00-7 | 1H-Imidazole-1-acetonitrile,2-nitro-(9CI)
CAS No: 501102-00-7 Catalog No: AG00DX8B MDL No:
Product Description
Catalog Number:
AG00DX8B
Chemical Name:
1H-Imidazole-1-acetonitrile,2-nitro-(9CI)
CAS Number:
501102-00-7
IUPAC Name:
2-(2-nitroimidazol-1-yl)acetonitrile
InChI:
InChI=1S/C5H4N4O2/c6-1-3-8-4-2-7-5(8)9(10)11/h2,4H,3H2
InChI Key:
KDTKNVAQVQTTAM-UHFFFAOYSA-N
NSC Number:
307226
Properties
Complexity:
202
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.033g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
152.113g/mol
Monoisotopic Mass:
152.033g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
87.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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