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89466-60-4 | 1H-Pyrazole-4-carbonitrile,5-amino-1-(2-chloroethyl)-
CAS No: 89466-60-4 Catalog No: AG0042AH MDL No:
Product Description
Catalog Number:
AG0042AH
Chemical Name:
1H-Pyrazole-4-carbonitrile,5-amino-1-(2-chloroethyl)-
CAS Number:
89466-60-4
Molecular Formula:
C6H7ClN4
Molecular Weight:
170.5996
IUPAC Name:
5-amino-1-(2-chloroethyl)pyrazole-4-carbonitrile
InChI:
InChI=1S/C6H7ClN4/c7-1-2-11-6(9)5(3-8)4-10-11/h4H,1-2,9H2
InChI Key:
ASQDYEJRLRENDY-UHFFFAOYSA-N
SMILES:
Nc1c(cnn1CCCl)C#N
NSC Number:
28229
Properties
Complexity:
175
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.036g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
170.6g/mol
Monoisotopic Mass:
170.036g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
67.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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