AG00CLBL

38941-98-9 | 4-(tert-Butyl)-2-iodophenol

AG00CLBL

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CAS Number	38941-98-9
Catalog Number	AG00CLBL(AGN-PC-0MZZR9)
Chemical Name	4-(tert-Butyl)-2-iodophenol
IUPAC Name	4-tert-butyl-2-iodophenol
InChI	InChI=1S/C10H13IO/c1-10(2,3)7-4-5-9(12)8(11)6-7/h4-6,12H,1-3H3
InChI Key	DTNQNHHVSJPDSG-UHFFFAOYSA-N
MDL Number	MFCD11035758
Molecular Formula	C10H13IO
Molecular Weight	276.1141
SMILES	CC(C)(C)C1=CC(I)=C(O)C=C1
Synonyms	4-(tert-Butyl)-2-iodophenol, 38941-98-9, 4-tert-butyl-2-iodophenol, Phenol, 4-(1,1-dimethylethyl)-2-iodo-, 4-t-butyl-2-iodophenol, 2-Iodo-4-tert-butylphenol, 4-tert-Butyl-2-iodo-phenol, SCHEMBL848161, C10H13IO, CTK4I0719, KS-00000QNO, DTXSID70436332, DTNQNHHVSJPDSG-UHFFFAOYSA-N, 5051AB, ANW-71202, MFCD11035758, ZINC15022239, 2-iodo-4-(1,1-dimethylethyl)phenol, AKOS016008298, DS-4245, MB09025, Phenol,4-(1,1-dimethylethyl)-2-iodo-, 1-(tert-Butyl)-4-hydroxy-3-iodobenzene, AJ-67121, AK104569, SC-67263, TC-159947, FT-0732198, Z-8109, 2-iodo-4-tert-butyl-phenol, ACN-053010, CID10171590,

Complexity	150
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	276.001g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	276.117g/mol
Monoisotopic Mass	276.001g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	20.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.9

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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