AG0038PL

49674-15-9 | 3-Bromo-5-nitrobenzonitrile

AG0038PL

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CAS Number	49674-15-9
Catalog Number	AG0038PL(AGN-PC-0LNILL)
Chemical Name	3-Bromo-5-nitrobenzonitrile
IUPAC Name	3-bromo-5-nitrobenzonitrile
InChI	InChI=1S/C7H3BrN2O2/c8-6-1-5(4-9)2-7(3-6)10(11)12/h1-3H
InChI Key	RQGCXODNTLHVQJ-UHFFFAOYSA-N
MDL Number	MFCD00463804
Molecular Formula	C7H3BrN2O2
Molecular Weight	227.0149
SMILES	BrC=1C=C(C#N)C=C(C1)[N+](=O)[O-]
Synonyms	3-bromo-5-nitrobenzonitrile, 49674-15-9, Benzonitrile, 3-bromo-5-nitro-, 3-NITRO-5-BROMOBENZONITRILE, ACMC-1CUX2, AC1NP7B8, 3-Bromo-5-nitrobenzonitrile,, SCHEMBL3511140, 1-Bromo-3-cyano-5-nitrobenzene, CTK4J1519, DTXSID60408907, RQGCXODNTLHVQJ-UHFFFAOYSA-N, 5-bromo-3-nitrobenzenecarbonitrile, ZINC4013976, ZX-AT019008, ANW-30821, MFCD00463804, STK365704, AKOS005442639, FCH1326333, MCULE-4587238631, OR11657, AJ-47668, AK-74238, AS-42006, BBV-40202172, CJ-11255, DA-17599, AB0033168, AX8219709, TR-017840, CS-0060188, FT-0696458, ST24041931, ST51057459, X6640, A-5715, I01-11004, C7H3BrN2O2, ZINC04013976, CID5152425,

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	2.2

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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