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Home Halogens 4-(5-chloro-3-methyl-1H-pyrazol-1-yl)benzonitrile

4-(5-chloro-3-methyl-1H-pyrazol-1-yl)benzonitrile

CAS No.:
1423029-19-9
Catalog Number:
AG01A33R
Molecular Formula:
C11H8ClN3
Molecular Weight:
217.6543
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Product Description
Catalog Number:
AG01A33R
Chemical Name:
4-(5-chloro-3-methyl-1H-pyrazol-1-yl)benzonitrile
CAS Number:
1423029-19-9
Molecular Formula:
C11H8ClN3
Molecular Weight:
217.6543
MDL Number:
MFCD21667611
IUPAC Name:
4-(5-chloro-3-methylpyrazol-1-yl)benzonitrile
InChI:
InChI=1S/C11H8ClN3/c1-8-6-11(12)15(14-8)10-4-2-9(7-13)3-5-10/h2-6H,1H3
InChI Key:
TWJYQPGOHHDPKU-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)n1nc(cc1Cl)C
Properties
Complexity:
264  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.041g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
217.656g/mol
Monoisotopic Mass:
217.041g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Properties