AG007OTG

21919-05-1 | Benzamide,5-(1-aziridinyl)-2,4-dinitro-

AG007OTG

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CAS Number	21919-05-1
Catalog Number	AG007OTG(AGN-PC-0JLXUU)
Chemical Name	Benzamide,5-(1-aziridinyl)-2,4-dinitro-
EC Number	606-863-5
IUPAC Name	5-(aziridin-1-yl)-2,4-dinitrobenzamide
InChI	InChI=1S/C9H8N4O5/c10-9(14)5-3-7(11-1-2-11)8(13(17)18)4-6(5)12(15)16/h3-4H,1-2H2,(H2,10,14)
InChI Key	WOCXQMCIOTUMJV-UHFFFAOYSA-N
MDL Number	MFCD00869490
Molecular Formula	C9H8N4O5
Molecular Weight	252.1836
NSC Number	115829
SMILES	O=C(N)C1=CC(N2CC2)=C([N+]([O-])=O)C=C1[N+]([O-])=O
UNII	7865D5D01M
Synonyms	5-(1-aziridinyl)-2,4-dinitrobenzamide, 5-aziridinyl-2,4-dinitrobenzamide, aziridine dinitrobenzamide, CB 1954, CB-1954, CB1954, tretazicar, Tretazicar, CB 1954, 21919-05-1, CB1954, 5-(1-Aziridinyl)-2,4-dinitrobenzamide, 5-Aziridino-2,4-dinitrobenzamide, CB-1954, 5-Aziridinyl-2,4-dinitrobenzamide, 5-(AZIRIDIN-1-YL)-2,4-DINITROBENZAMIDE, Tretazicar [INN], 2,4-Dinitroethyleneiminobenzamide, 2,4-Dinitro-5-ethyleneiminobenzamide, NSC 115829, CHEMBL23330, Benzamide,5-(1-aziridinyl)-2,4-dinitro-, CCRIS 1631, UNII-7865D5D01M, 7865D5D01M, BRN 5825582, Benzamide, 5-(1-aziridinyl)-2,4-dinitro-, CB1, C9H8N4O5, 5-[aziridin-1-yl]-2,4-dinitrobenzamide, SMR000326847, aziridine dinitrobenzamide, CB1954(Tretazicar), AC1Q1YAR, CB 1954, solid, Lopac-C-2235, Lopac0_000200, MLS000859988, MLS001066333, SCHEMBL366755, AC1L3H57, SCHEMBL15691893, CTK4E7975, DTXSID00176335, HMS2233F04, HMS3260H21, HMS3369C05, BCP09250, WLN: T3NTJ AR CVZ DNW FNW, ZINC4475105, Tox21_500200, BDBM50004681, CB 954, MFCD00869490, NSC115829, s7829, AKOS030239859, 5-aziridin-1-yl-2,4-dinitrobenzamide, API0005340, CCG-204295, DB04253, LP00200, NSC-115829, 5-aziridin-1-yl-2,4-dinitro-benzamide, NCGC00015220-01, NCGC00015220-02, NCGC00015220-03, NCGC00015220-04, NCGC00093675-01, NCGC00093675-02, NCGC00260885-01, 5-(aziridyn-1-yl)-2,4-dinitrobenzamide, LS-25723, NCI60_000357, EU-0100200, C 2235, 28334-EP2269990A1, 28334-EP2280001A1, 28334-EP2281824A1, 28334-EP2301923A1, 28334-EP2301930A1, 28334-EP2308869A1, 28334-EP2314578A1, 919A051, SR-01000075746, J-014359, SR-01000075746-1, Prolarix, Benzamide,4-dinitro-, D07ZHV, CID89105, AR-1G4904, CB-954, A15862, C100099, 17475-67-1, 2243-69-8,

Complexity	385
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	252.049g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	252.186g/mol
Monoisotopic Mass	252.049g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	138A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number