Home Other Building Blocks (4-CHLORO-1-METHYL-1H-PYRAZOL-5-YL)ACETONITRILE

(4-CHLORO-1-METHYL-1H-PYRAZOL-5-YL)ACETONITRILE

CAS No.:
1310379-49-7
Catalog Number:
AG01AOM7
Molecular Formula:
C6H6ClN3
Molecular Weight:
155.5849
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Product Description
Catalog Number:
AG01AOM7
Chemical Name:
(4-CHLORO-1-METHYL-1H-PYRAZOL-5-YL)ACETONITRILE
CAS Number:
1310379-49-7
Molecular Formula:
C6H6ClN3
Molecular Weight:
155.5849
MDL Number:
MFCD20491516
IUPAC Name:
2-(4-chloro-2-methylpyrazol-3-yl)acetonitrile
InChI:
InChI=1S/C6H6ClN3/c1-10-6(2-3-8)5(7)4-9-10/h4H,2H2,1H3
InChI Key:
RYQYFRNFBPOQFL-UHFFFAOYSA-N
SMILES:
Cn1ncc(c1CC#N)Cl
Properties
Complexity:
162  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
155.025g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
155.585g/mol
Monoisotopic Mass:
155.025g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Properties