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51516-68-8 | 5-Amino-1-(3-chlorophenyl);-1H-pyrazole-4-carbonitrile
CAS No: 51516-68-8 Catalog No: AG003MCB MDL No:MFCD00128298
Product Description
Catalog Number:
AG003MCB
Chemical Name:
5-Amino-1-(3-chlorophenyl);-1H-pyrazole-4-carbonitrile
CAS Number:
51516-68-8
Molecular Formula:
C10H7ClN4
Molecular Weight:
218.6424
MDL Number:
MFCD00128298
IUPAC Name:
5-amino-1-(3-chlorophenyl)pyrazole-4-carbonitrile
InChI:
InChI=1S/C10H7ClN4/c11-8-2-1-3-9(4-8)15-10(13)7(5-12)6-14-15/h1-4,6H,13H2
InChI Key:
VRKRSWGTAMOYEV-UHFFFAOYSA-N
SMILES:
N#Cc1cnn(c1N)c1cccc(c1)Cl
Properties
Complexity:
274
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.036g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
218.644g/mol
Monoisotopic Mass:
218.036g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
67.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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