AG003CXN

215649-84-6 | 1-(3-Nitrophenyl)piperazin-2-one

AG003CXN

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CAS Number	215649-84-6
Catalog Number	AG003CXN(AGN-PC-0NFA6M)
Chemical Name	1-(3-Nitrophenyl)piperazin-2-one
IUPAC Name	1-(3-nitrophenyl)piperazin-2-one
InChI	InChI=1S/C10H11N3O3/c14-10-7-11-4-5-12(10)8-2-1-3-9(6-8)13(15)16/h1-3,6,11H,4-5,7H2
InChI Key	VFWUZSXMPSDONN-UHFFFAOYSA-N
MDL Number	MFCD10568168
Molecular Formula	C10H11N3O3
Molecular Weight	221.2126
SMILES	C1=CC(=CC(=C1)[N+](=O)[O-])N2CCNCC2=O
Synonyms	1-(3-nitrophenyl)piperazin-2-one, 215649-84-6, SCHEMBL2634714, CTK4E7149, DTXSID90453889, VFWUZSXMPSDONN-UHFFFAOYSA-N, KS-00000DM1, 1-(3-Nitrophenyl)piperazine-2-one, 4942AJ, MFCD10568168, ZINC34623521, 1-(3-nitro-phenyl)-piperazin-2-one, 2-Piperazinone, 1-(3-nitrophenyl)-, AKOS015902932, ACM215649846, AJ-89839, AS-31602, SC-27455, SY002563, AB0063886, AB1001394, AX8036386, DB-013009, TC-306555, FT-0768708, Z-3322, MFCD10568168 (97+%), I14-19643, null, C10H11N3O3, CID11063988, 1256633-20-1,

Complexity	290
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	221.08g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	221.216g/mol
Monoisotopic Mass	221.08g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	78.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.5

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number