200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 23198-55-2
23198-55-2 | 1H-Pyrazole-4-carbonitrile, 3,5-dimethyl-1-phenyl-
CAS No: 23198-55-2 Catalog No: AG002MHW MDL No:MFCD08435888
Product Description
Catalog Number:
AG002MHW
Chemical Name:
1H-Pyrazole-4-carbonitrile, 3,5-dimethyl-1-phenyl-
CAS Number:
23198-55-2
Molecular Formula:
C12H11N3
Molecular Weight:
197.2358
MDL Number:
MFCD08435888
IUPAC Name:
3,5-dimethyl-1-phenylpyrazole-4-carbonitrile
InChI:
InChI=1S/C12H11N3/c1-9-12(8-13)10(2)15(14-9)11-6-4-3-5-7-11/h3-7H,1-2H3
InChI Key:
WOFAIVGOIVCZJJ-UHFFFAOYSA-N
SMILES:
N#Cc1c(C)nn(c1C)c1ccccc1
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.095g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
197.241g/mol
Monoisotopic Mass:
197.095g/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
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.