AG003W38

89642-50-2 | 5-Bromo-2-Nitrobenzonitrile

AG003W38

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CAS Number	89642-50-2
Catalog Number	AG003W38(AGN-PC-0JOY55)
Chemical Name	5-Bromo-2-Nitrobenzonitrile
IUPAC Name	5-bromo-2-nitrobenzonitrile
InChI	InChI=1S/C7H3BrN2O2/c8-6-1-2-7(10(11)12)5(3-6)4-9/h1-3H
InChI Key	LCNNOEPOXHHUQG-UHFFFAOYSA-N
MDL Number	MFCD10699674
Molecular Formula	C7H3BrN2O2
Molecular Weight	227.0149
NSC Number	263787
SMILES	N#CC1=CC(Br)=CC=C1[N+]([O-])=O
Synonyms	5-bromo-2-nitrobenzonitrile, 89642-50-2, 2-nitro-5-bromobenzonitrile, 5-Bromo-2-nitro-benzonitrile, AK-41041, NSC263787, ACMC-209r2a, AC1L80CI, 4-Bromo-2-cyanonitrobenzene, KSC450I0P, SCHEMBL1119385, CTK3F0407, DTXSID40312876, LCNNOEPOXHHUQG-UHFFFAOYSA-N, KS-00000IG1, ZINC1558567, ZX-AT007008, ANW-39344, MFCD10699674, WT1788, AKOS015834755, CS-W005536, FCH1327343, NSC-263787, OR30919, PS-4812, RTR-028142, VZ30128, AJ-27017, CJ-05338, AX8168600, ST2406115, TR-028142, 4CH-003505, 89642-50-2 2-nitro-5-bromobenzonitrile, FT-0688158, X2203, A24152, B-5292, C7H3BrN2O2, CID319489, 52116-83-3,

Complexity	229
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	225.938g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	227.017g/mol
Monoisotopic Mass	225.938g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	69.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number