AG0021DS

17601-94-4 | Benzonitrile, 2-amino-3-bromo-5-nitro-

AG0021DS

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CAS Number	17601-94-4
Catalog Number	AG0021DS(AGN-PC-0JLWMG)
Chemical Name	Benzonitrile, 2-amino-3-bromo-5-nitro-
EC Number	241-574-4
IUPAC Name	2-amino-3-bromo-5-nitrobenzonitrile
InChI	InChI=1S/C7H4BrN3O2/c8-6-2-5(11(12)13)1-4(3-9)7(6)10/h1-2H,10H2
InChI Key	MUHLVSZIVTURCZ-UHFFFAOYSA-N
MDL Number	MFCD00054185
Molecular Formula	C7H4BrN3O2
Molecular Weight	242.0296
SMILES	NC1=C(C=C(C=C1Br)[N+]([O-])=O)C#N
Synonyms	2-Amino-3-bromo-5-nitrobenzonitrile, 17601-94-4, Benzonitrile, 2-amino-3-bromo-5-nitro-, 6-bromo-2-cyano-4-nitroaniline, 2-Bromo-6-cyano-4-nitroaniline, 2-amino-3-bromo-5-nitrobenzenecarbonitrile, MFCD00054185, W-107842, EINECS 241-574-4, PubChem2331, 2-Amino-3-bromo-1-cyano-5-nitrobenzene, ACMC-1BUS8, AC1L3D3U, AC1Q25RY, AC1Q50QU, Cambridge id 5228140, KSC496G6H, SCHEMBL623229, Jsp003611, DTXSID3066219, 2-Cyano-4-nitro-6-bromoaniline, 6-Bromo-4-nitro-2-cyanoaniline, CTK3J6363, KS-00000ZJV, MUHLVSZIVTURCZ-UHFFFAOYSA-N, ZINC3878826, ZX-AT009044, 4-Amino-3-bromo-5-cyanonitrobenzene, ANW-22808, OR1531, SBB063911, STL506506, 2-Amino-3-bromo-5-nitro-benzonitrile, AKOS003620563, FCH1318610, HCH0018264, MCULE-4193744809, RTR-008013, ACM17601944, AC-22492, AJ-46521, AK-63498, AS-11893, BBV-40194438, BC002279, CC-08682, CJ-11043, ST010156, 2-Amino-3-bromo-5-nitrobenzonitrile, 97%, AX8004140, DB-020388, ST2416347, TR-008013, FT-0637572, B-7476, AB00075924-01, 601A944, C-14538, SR-01000199663, I01-3303, SR-01000199663-1, C7H4BrN3O2, cc-412, C7-H4-Br-N3-O2, CID87173, AR-1D8238, ZINC03878826, A1553, 2-Amino-3-bromo-5-nitrobenzonitrile, 98% - 1G 1g, 178979-50-5,

Complexity	256
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	240.949g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	242.032g/mol
Monoisotopic Mass	240.949g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	95.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H312-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number