AG007SJ2

112671-42-8 | 4-Bromo-1-iodo-2-nitrobenzene

AG007SJ2

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CAS Number	112671-42-8
Catalog Number	AG007SJ2(AGN-PC-00O25O)
Chemical Name	4-Bromo-1-iodo-2-nitrobenzene
IUPAC Name	4-bromo-1-iodo-2-nitrobenzene
InChI	InChI=1S/C6H3BrINO2/c7-4-1-2-5(8)6(3-4)9(10)11/h1-3H
InChI Key	XLUAZLDTZYHVSO-UHFFFAOYSA-N
MDL Number	MFCD11505492
Molecular Formula	C6H3BrINO2
Molecular Weight	327.9020
SMILES	O=[N+](C1=CC(Br)=CC=C1I)[O-]
Synonyms	4-bromo-1-iodo-2-nitrobenzene, 112671-42-8, 4-Bromo-1-iodo-2-nitro-benzene, Benzene, 4-bromo-1-iodo-2-nitro-, 5-BROMO-2-IODONITROBENZENE, MFCD11505492, AC1Q1WZP, ACMC-2099fv, 2-nitro-4-bromo-iodobenzene, SCHEMBL405513, 1-Iodo-2-nitro-4-bromobenzene, CTK0G9386, KS-00000DCJ, DTXSID00549964, EBD25704, ANW-16505, ZINC28278313, AKOS009377628, AN-5066, AS03369, AS04506, CS-W009088, GS-3877, MCULE-8381409935, RTX-012007, WT82445, AC-28516, AJ-83405, AK-32863, BC005263, BR-32863, CJ-17665, SC-45102, SY029593, AB0034807, DB-060229, ST2411134, 4CH-000233, FT-0687581, X9023, EN300-39629, MFCD11505492 (95%), A-4957, AB01000951-01, 671B428, I14-32152, C6H3BrINO2, ACN-027249, 4-bromo-1-iodo-2-nitrobenzene, 95% - 1G 1g,

Complexity	161
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	326.839g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	327.903g/mol
Monoisotopic Mass	326.839g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	45.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.1

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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