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Home Other Building Blocks 5-CHLORO-3-METHYL-1-PHENYL-1H-PYRAZOLE-4-CARBONITRILE

5-CHLORO-3-METHYL-1-PHENYL-1H-PYRAZOLE-4-CARBONITRILE

CAS No.:
51626-33-6
Catalog Number:
AG003MNZ
Molecular Formula:
C11H8ClN3
Molecular Weight:
217.6543
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Product Description
Catalog Number:
AG003MNZ
Chemical Name:
5-CHLORO-3-METHYL-1-PHENYL-1H-PYRAZOLE-4-CARBONITRILE
CAS Number:
51626-33-6
Molecular Formula:
C11H8ClN3
Molecular Weight:
217.6543
MDL Number:
MFCD00455809
IUPAC Name:
5-chloro-3-methyl-1-phenylpyrazole-4-carbonitrile
InChI:
InChI=1S/C11H8ClN3/c1-8-10(7-13)11(12)15(14-8)9-5-3-2-4-6-9/h2-6H,1H3
InChI Key:
MWXQWRGAGVHIDR-UHFFFAOYSA-N
SMILES:
N#Cc1c(C)nn(c1Cl)c1ccccc1
Properties
Complexity:
266  
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