AG000S0Z

1261817-10-0 | Benzene, 4-bromo-2-(chloromethyl)-1-iodo-

AG000S0Z

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CAS Number	1261817-10-0
Catalog Number	AG000S0Z(AGN-PC-0J0Q2O)
Chemical Name	Benzene, 4-bromo-2-(chloromethyl)-1-iodo-
IUPAC Name	4-bromo-2-(chloromethyl)-1-iodobenzene
InChI	InChI=1S/C7H5BrClI/c8-6-1-2-7(10)5(3-6)4-9/h1-3H,4H2
InChI Key	OVMPAVCSOVHNOB-UHFFFAOYSA-N
MDL Number	MFCD18391683
Molecular Formula	C7H5BrClI
Molecular Weight	331.3761
SMILES	IC1=C(CCl)C=C(C=C1)Br
Synonyms	1261817-10-0, 4-BROMO-2-(CHLOROMETHYL)-1-IODOBENZENE, 2-Iodo-5-Bromobenzyl chloride, 5-Bromo-2-iodobenzyl chloride, SCHEMBL12097459, OVMPAVCSOVHNOB-UHFFFAOYSA-N, MFCD18391683, ZINC95080199, AKOS028108709, AS-18991, SC-98267, Benzene, 4-bromo-2-(chloromethyl)-1-iodo-, CS-0041559, A1-10550, ACN-037041,

Complexity	110
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	329.831g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	0
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	331.375g/mol
Monoisotopic Mass	329.831g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	0A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.7

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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