AG00DBO6

53279-79-1 | 3,5-Diiodobenzyl alcohol

AG00DBO6

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WARNING This product is not for human or veterinary use.

CAS Number	53279-79-1
Catalog Number	AG00DBO6(AGN-PC-0NILMV)
Chemical Name	3,5-Diiodobenzyl alcohol
IUPAC Name	(3,5-diiodophenyl)methanol
InChI	InChI=1S/C7H6I2O/c8-6-1-5(4-10)2-7(9)3-6/h1-3,10H,4H2
InChI Key	PNXHCRVWLIQVGW-UHFFFAOYSA-N
MDL Number	MFCD09743669
Molecular Formula	C7H6I2O
Molecular Weight	359.9309
SMILES	OCC1=CC(I)=CC(I)=C1
Synonyms	(3,5-Diiodophenyl)methanol, 53279-79-1, 3,5-DIIODOBENZYL ALCOHOL, 3,5-Diiodophenylmethanol, Benzenemethanol,3,5-diiodo-, C7H6I2O, Benzenemethanol, 3,5-diiodo-, SCHEMBL9396245, CTK4J7438, DTXSID50490558, PNXHCRVWLIQVGW-UHFFFAOYSA-N, 7557AB, MFCD09743669, ZINC39208027, CD-1283, DS-5458, AJ-99060, AK119019, AN-40819, 279D791,

Complexity	97.8
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	359.851g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	359.933g/mol
Monoisotopic Mass	359.851g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	20.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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