AG0070AV

450412-22-3 | 1-Bromo-2-iodo-3-methoxybenzene

AG0070AV

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CAS Number	450412-22-3
Catalog Number	AG0070AV(AGN-PC-0MXD1F)
Chemical Name	1-Bromo-2-iodo-3-methoxybenzene
IUPAC Name	1-bromo-2-iodo-3-methoxybenzene
InChI	InChI=1S/C7H6BrIO/c1-10-6-4-2-3-5(8)7(6)9/h2-4H,1H3
InChI Key	HQIQCAXZVNDWEK-UHFFFAOYSA-N
MDL Number	MFCD18089327
Molecular Formula	C7H6BrIO
Molecular Weight	312.9304
SMILES	COC1=C(I)C(Br)=CC=C1
Synonyms	1-Bromo-2-iodo-3-methoxybenzene, 450412-22-3, 3-Bromo-2-iodoanisole, 2-Iodo-3-bromoanisole, SCHEMBL4054307, CTK8B9071, DTXSID20434303, ZX-AT013978, 6214AB, ANW-61940, MFCD18089327, ZINC67796600, AS03355, FCH1363685, OR45121, AK-41755, DS-13981, AJ-117010, AX8208495, TC-150685, ST24027047, AS-813/43501657, C7H6BrIO, 1-bromo-2-iodo-3-methoxy-benzene, CID10018436,

Complexity	110
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	311.865g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	312.932g/mol
Monoisotopic Mass	311.865g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	9.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.2

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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