AG001RHX

15988-11-1 | 1,2,4-Triazolidine-3,5-dione, 4-phenyl-

AG001RHX

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CAS Number	15988-11-1
Catalog Number	AG001RHX(AGN-PC-0JLVK2)
Chemical Name	1,2,4-Triazolidine-3,5-dione, 4-phenyl-
EC Number	240-127-0
IUPAC Name	4-phenyl-1,2,4-triazolidine-3,5-dione
InChI	InChI=1S/C8H7N3O2/c12-7-9-10-8(13)11(7)6-4-2-1-3-5-6/h1-5H,(H,9,12)(H,10,13)
InChI Key	GOSUFRDROXZXLN-UHFFFAOYSA-N
MDL Number	MFCD00005226
Molecular Formula	C8H7N3O2
Molecular Weight	177.1601
NSC Number	93432
SMILES	O=C2NNC(=O)N2(c1ccccc1)
UNII	9V4N9J1BIH
Synonyms	4-Phenylurazole, 4-Phenyl-1,2,4-triazolidine-3,5-dione, 15988-11-1, Urazole, 4-phenyl-, 1,2,4-Triazolidine-3,5-dione, 4-phenyl-, Bicarbamimide, N-phenyl-, 4-PHENYL URAZOLE, UNII-9V4N9J1BIH, 9V4N9J1BIH, GOSUFRDROXZXLN-UHFFFAOYSA-N, MFCD00005226, 4-Phenylurazol, 4-phenyl-urazole, NSC93432, EINECS 240-127-0, NSC 93432, 4-Phenylurazole, 98%, ACMC-1C52Y, NCIOpen2_001359, Oprea1_076157, KSC297Q5N, MLS000696456, SCHEMBL447261, AC1L391C, BDBM7832, CHEMBL224287, Triazolidinedione Derivative 31, DTXSID5065988, GOSUFRDROXZXLN-UHFFFAOYSA-, HMS2732F12, KS-00000C9K, ZINC6116826, ANW-21849, NSC-93432, SBB057625, AKOS003238454, DS-2482, MCULE-9952884697, 4-phenyl-1,2,4-triazolane-3,5-dione, NCGC00246559-01, AJ-55838, AK-61001, Q170, SMR000336567, ST013852, SY019481, 1,4-Triazolidine-3,5-dione, 4-phenyl-, 4-phenyl-[1,2,4]triazolidine-3,5-dione, 4-Phenyl-1,2,4-triazolidine-3,5-dione #, FT-0619416, P1160, MFCD00005226 (98%), M-5816, 7W-0875, A810083, I01-0933, J-640146, J-800150, S14-1398, W-107983, InChI=1/C8H7N3O2/c12-7-9-10-8(13)11(7)6-4-2-1-3-5-6/h1-5H,(H,9,12)(H,10,13), Lucigenin, C8H7N3O2, 4-Phenyl-1,2,4-triazoline-3,5-dione, C8-H7-N3-O2, CID85229, 4233-33-4,

Complexity	220
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	177.054g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	177.163g/mol
Monoisotopic Mass	177.054g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	61.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number