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27807-95-0 | 3H-Pyrazol-3-one, 2,4-dihydro-5-methyl-2-phenyl-4-(phenylimino)-
CAS No: 27807-95-0 Catalog No: AG002UTM MDL No:
Product Description
Catalog Number:
AG002UTM
Chemical Name:
3H-Pyrazol-3-one, 2,4-dihydro-5-methyl-2-phenyl-4-(phenylimino)-
CAS Number:
27807-95-0
Molecular Formula:
C16H13N3O
Molecular Weight:
263.2939
IUPAC Name:
5-methyl-2-phenyl-4-phenyliminopyrazol-3-one
InChI:
InChI=1S/C16H13N3O/c1-12-15(17-13-8-4-2-5-9-13)16(20)19(18-12)14-10-6-3-7-11-14/h2-11H,1H3
InChI Key:
UCPXEXHZKICDCS-UHFFFAOYSA-N
SMILES:
CC1=NN(C(=O)C1=Nc1ccccc1)c1ccccc1
Properties
Complexity:
429
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.106g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
263.3g/mol
Monoisotopic Mass:
263.106g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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