200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 116342-67-7
116342-67-7 | 3H-Pyrazol-3-one, 2,4-dihydro-2,5-dimethyl-4-(phenylimino)-
CAS No: 116342-67-7 Catalog No: AG000C8N MDL No:
Product Description
Catalog Number:
AG000C8N
Chemical Name:
3H-Pyrazol-3-one, 2,4-dihydro-2,5-dimethyl-4-(phenylimino)-
CAS Number:
116342-67-7
Molecular Formula:
C11H11N3O
Molecular Weight:
201.2245
IUPAC Name:
2,5-dimethyl-4-phenyliminopyrazol-3-one
InChI:
InChI=1S/C11H11N3O/c1-8-10(11(15)14(2)13-8)12-9-6-4-3-5-7-9/h3-7H,1-2H3
InChI Key:
GORYVOMSAFLHRC-UHFFFAOYSA-N
SMILES:
CC1=NN(C(=O)C1=Nc1ccccc1)C
Properties
Complexity:
327
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.09g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
201.229g/mol
Monoisotopic Mass:
201.09g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.