AG003D0X

867166-73-2 | 1-(4-Nitrophenyl)piperazin-2-one

AG003D0X

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CAS Number	867166-73-2
Catalog Number	AG003D0X(AGN-PC-03ZIOV)
Chemical Name	1-(4-Nitrophenyl)piperazin-2-one
IUPAC Name	1-(4-nitrophenyl)piperazin-2-one
InChI	InChI=1S/C10H11N3O3/c14-10-7-11-5-6-12(10)8-1-3-9(4-2-8)13(15)16/h1-4,11H,5-7H2
InChI Key	TXHGONHNTRRRNA-UHFFFAOYSA-N
MDL Number	MFCD11040383
Molecular Formula	C10H11N3O3
Molecular Weight	221.2126
SMILES	O=C1N(C2=CC=C([N+]([O-])=O)C=C2)CCNC1
Synonyms	1-(4-NITROPHENYL)PIPERAZIN-2-ONE, 867166-73-2, SCHEMBL3975843, CTK8E1606, KS-00000DMW, DTXSID80630849, TXHGONHNTRRRNA-UHFFFAOYSA-N, 1-(4-nitrophenyl)-2-Piperazinone, 4967AJ, KM2436, MFCD11040383, ZINC42684370, AKOS015902881, TRA0077238, AK-82537, CS-11118, SY005898, AJ-104552, AX8173767, DB-014722, TC-306576, FT-0766523, MFCD11040383 (97+%), I14-20225, 1- PIPERAZIN-2-ONE, C10H11N3O3, 1246471-38-4,

Complexity	282
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