Home Halogens 5-chloro-1-phenyl-1H-pyrazole-4-carbonitrile

5-chloro-1-phenyl-1H-pyrazole-4-carbonitrile

CAS No.:
1050619-81-2
Catalog Number:
AG008Z5L
Molecular Formula:
C10H6ClN3
Molecular Weight:
203.6277
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Product Description
Catalog Number:
AG008Z5L
Chemical Name:
5-chloro-1-phenyl-1H-pyrazole-4-carbonitrile
CAS Number:
1050619-81-2
Molecular Formula:
C10H6ClN3
Molecular Weight:
203.6277
MDL Number:
MFCD09959879
IUPAC Name:
5-chloro-1-phenylpyrazole-4-carbonitrile
InChI:
InChI=1S/C10H6ClN3/c11-10-8(6-12)7-13-14(10)9-4-2-1-3-5-9/h1-5,7H
InChI Key:
PUSZKFPOUNLXFN-UHFFFAOYSA-N
SMILES:
N#Cc1cnn(c1Cl)c1ccccc1
Properties
Complexity:
241  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.025g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
203.629g/mol
Monoisotopic Mass:
203.025g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties