AG006WTO

4845-49-2 | 3H-Pyrazol-3-one,2,4-dihydro-2,5-diphenyl-

AG006WTO

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CAS Number	4845-49-2
Catalog Number	AG006WTO(AGN-PC-0JLRG3)
Chemical Name	3H-Pyrazol-3-one,2,4-dihydro-2,5-diphenyl-
IUPAC Name	2,5-diphenyl-4H-pyrazol-3-one
InChI	InChI=1S/C15H12N2O/c18-15-11-14(12-7-3-1-4-8-12)16-17(15)13-9-5-2-6-10-13/h1-10H,11H2
InChI Key	MZKALFCNIJHTJG-UHFFFAOYSA-N
MDL Number	MFCD00117375
Molecular Formula	C15H12N2O
Molecular Weight	236.2686
NSC Number	59778
SMILES	O=C1CC(C2=CC=CC=C2)=NN1C3=CC=CC=C3
Synonyms	4845-49-2, 1,3-Diphenylpyrazolone, 2,5-Diphenyl-2,4-dihydro-pyrazol-3-one, 1,3-diphenyl-1H-pyrazol-5(4H)-one, 2,5-Diphenyl-2,4-dihydro-3H-pyrazol-3-one, 2-Pyrazolin-5-one, 1,3-diphenyl-, 3H-Pyrazol-3-one, 2,4-dihydro-2,5-diphenyl-, 5-Pyrazolone, 1,3-diphenyl-, MLS002693246, 1,3-diphenyl-2-pyrazolin-5-one, 3H-Pyrazol-3-one,2,4-dihydro-2,5-diphenyl-, MZKALFCNIJHTJG-UHFFFAOYSA-N, 1,3-diphenyl-4,5-dihydro-1H-pyrazol-5-one, 2,5-diphenyl-4H-pyrazol-3-one, NSC59778, EINECS 225-430-8, NSC 59778, AI3-16510, AC1L2VHY, AC1Q6EBA, Maybridge1_001527, 5-Pyrazolone,3-diphenyl-, AC1Q6EB9, AC1Q6KU2, 2,4-DIHYDRO-2,5-DIPHENYL-3H-PYRAZOL-3-ONE, CHEMBL223155, SCHEMBL2604371, DTXSID8063620, 2-Pyrazolin-5-one,3-diphenyl-, CTK4J0816, HMS545N09, KS-00001XCV, WLN: T5NNV DHJ BR& ER, 1,3-Diphenyl-5(4H)-pyrazolone, HMS3080B04, 1,3-diphenyl-2-pyrazoline-5-one, BBL000684, CCG-41848, MFCD00117375, NSC-59778, STK367194, ZINC18158601, AKOS000266883, MCULE-7927022902, BAS 00581028, SMR001488438, ST056101, 2-Pyrazolin-5-one, 1,3-diphenyl- (8CI), 3H-Pyrazol-3-one,4-dihydro-2,5-diphenyl-, EU-0018942, T7881, EN300-05386, 2,5-Diphenyl-2,4-dihydro-3H-pyrazol-3-one #, SR-01000528383, J-507382, SR-01000528383-1, SR-01000528383-2, BRD-K50820619-001-05-7, A2198/0092503, 1,3-Diphenyl-5-pyrazolone, C15H12N2O, CID78559, AR-1E5270, C15-H12-N2-O, 5104-61-0,

Complexity	338
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	236.095g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	236.274g/mol
Monoisotopic Mass	236.095g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	32.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

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