AG002SN6

26307-50-6 | Phenol, 4-bromo-2-(1-methylethyl)-

AG002SN6

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CAS Number	26307-50-6
Catalog Number	AG002SN6(AGN-PC-002KHD)
Chemical Name	Phenol, 4-bromo-2-(1-methylethyl)-
IUPAC Name	4-bromo-2-propan-2-ylphenol
InChI	InChI=1S/C9H11BrO/c1-6(2)8-5-7(10)3-4-9(8)11/h3-6,11H,1-2H3
InChI Key	IRIAFTMIYRJHNZ-UHFFFAOYSA-N
MDL Number	MFCD00040203
Molecular Formula	C9H11BrO
Molecular Weight	215.0870
SMILES	OC1=CC=C(Br)C=C1C(C)C
Synonyms	4-Bromo-2-isopropylphenol, 26307-50-6, 4-BROMO-2-(PROPAN-2-YL)PHENOL, 4-Bromo-2-propan-2-ylphenol, PHENOL, 4-BROMO-2-(1-METHYLETHYL)-, 2-isopropyl-4-bromophenol, 4-Bromo-2-isopropyl-phenol, ARONIS24399, SCHEMBL282835, 4-bromo-2-(methylethyl)phenol, CTK5I6663, DTXSID50564102, IRIAFTMIYRJHNZ-UHFFFAOYSA-N, 4-Bromo-2-(1-Methylethyl)Phenol, KS-000019QG, MFCD00040203, SBB080810, ZINC11949644, AKOS005267226, MB00402, MCULE-9522354443, AJ-60573, AS-39425, TR-072446, 4CH-024744, BB 0258049, CS-0008502, ST24043394, Z0453, Q-7144, Z1480642734, C9H11BrO,

Complexity	125
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	213.999g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	215.09g/mol
Monoisotopic Mass	213.999g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	20.2A^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
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number