AG003LZ0

5004-45-5 | 4-Phenyl-1(2h)-phthalazinone

AG003LZ0

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CAS Number	5004-45-5
Catalog Number	AG003LZ0(AGN-PC-0JN9DJ)
Chemical Name	4-Phenyl-1(2h)-phthalazinone
IUPAC Name	4-phenyl-2H-phthalazin-1-one
InChI	InChI=1S/C14H10N2O/c17-14-12-9-5-4-8-11(12)13(15-16-14)10-6-2-1-3-7-10/h1-9H,(H,16,17)
InChI Key	XCJLBNVENUPHEA-UHFFFAOYSA-N
MDL Number	MFCD00098272
Molecular Formula	C14H10N2O
Molecular Weight	222.2420
NSC Number	59
SMILES	O=C1NN=C(C2=CC=CC=C2)C3=C1C=CC=C3
Synonyms	4-Phenylphthalazin-1(2H)-one, 5004-45-5, 4-phenyl-1(2H)-phthalazinone, 4-Phenyl-2H-phthalazin-1-one, 4-phenyl-2-hydrophthalazin-1-one, 1(2H)-Phthalazinone, 4-phenyl-, 4-phenylphthalazin-1-ol, 4-Phenylphthalazin-1-one, 4-phenyl-1,2-dihydrophthalazin-1-one, 1-Hydroxy-4-phenylphthalazine, XCJLBNVENUPHEA-UHFFFAOYSA-N, MFCD00098272, 4-Phenyl-1[2H]-phthalazinone, 1-phthalazinol, 4-phenyl-, NSC59, 4-Phenylbenzo(d, 4-phenyl phthalazinone, Maybridge1_003200, 4-Phenylphthalazine-1-ol, TimTec1_001305, 4-Phenyl-1-phthalazinol #, Oprea1_049626, Oprea1_771715, CBDivE_006021, MLS000777177, SCHEMBL581143, 1-hydroxy-4-phenyl phthalazine, 1-hydroxy-4-phenyl-phthalazine, AC1Q6E57, NSC-59, CHEMBL1389790, HMS550J10, DTXSID40276944, HMS1537L07, HMS2757J14, AC1L5657, KS-00003O5O, BBL007726, Quinazoline-1(2H)-one, 4-phenyl-, SBB038605, STK019984, STK506917, ZINC18276907, AKOS000120783, AKOS002212540, CCG-241997, MCULE-1690887545, MS-1294, 4-Phenyl-1-(2H)-phthalazinone, 97%, SMR000413573, ST015285, AB0236650, H2746, VU0345668-2, VU0345668-3, SR-01000389899, SR-01000389899-1, BRD-K54482349-001-01-8, Z48957537, F0863-0393, F3116-0061, 4-Phenyl-1-(2H)-phthalazinone, AR-1C5367, CID219150, 4-Phenyl-1(2H)-phthalazinone, 98% - 25G 25g, 5449-50-3,

Complexity	331
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	222.079g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	222.247g/mol
Monoisotopic Mass	222.079g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	41.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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