AG002HCE

188813-08-3 | Benzenemethanol, 3-bromo-5-iodo-

AG002HCE

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CAS Number	188813-08-3
Catalog Number	AG002HCE(AGN-PC-00PCEX)
Chemical Name	Benzenemethanol, 3-bromo-5-iodo-
IUPAC Name	(3-bromo-5-iodophenyl)methanol
InChI	InChI=1S/C7H6BrIO/c8-6-1-5(4-10)2-7(9)3-6/h1-3,10H,4H2
InChI Key	LSHKEWNEFDSMTN-UHFFFAOYSA-N
MDL Number	MFCD09745849
Molecular Formula	C7H6BrIO
Molecular Weight	312.9304
SMILES	OCC1=CC(I)=CC(Br)=C1
Synonyms	(3-BROMO-5-IODOPHENYL)METHANOL, 188813-08-3, 3-Bromo-5-iodobenzyl alcohol, Benzenemethanol, 3-bromo-5-iodo-, 5-bromo-3-iodobenzyl alcohol, 3-Bromo-5-iodobenzenemethanol, SCHEMBL1071522, LSHKEWNEFDSMTN-UHFFFAOYSA-N, MFCD09745849, ZINC94568719, DA-08833, PS-11860, SC-39365, CS-0036419, FT-0719910, X5186, C7H6BrIO,

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	1
Isotope Atom Count	0
Molecular Weight	312.932g/mol
Monoisotopic Mass	311.865g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	20.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.4

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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