1- (4-bromophenoxy) -2-methylpropan-2-ol

CAT: 0127-OR1086268-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1086268-01Size:250 mg

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CAS Number

186498-09-9

MDL Number

MFCD12765085

Purity

95%

Smiles

C1c (ccc (c1) OCC (C) (O) C) Br

Chemical Information

1-(4-Bromophenoxy)-2-methylpropan-2-ol

CAS Number	186498-09-9
PubChem CID	21186342
IUPAC Name	1-(4-bromophenoxy)-2-methylpropan-2-ol
Molecular Formula	C10H13BrO2
Molecular Weight	245.11
XLogP	2.5
Topological Polar Surface Area	29.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	13
Formal Charge	0
Complexity	151

SMILES

CC(C)(COC1=CC=C(C=C1)Br)O

InChI

InChI=1S/C10H13BrO2/c1-10(2,12)7-13-9-5-3-8(11)4-6-9/h3-6,12H,7H2,1-2H3

InChIKey

OQEFXIZFKZLIHQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 186498-09-9

CID: 21186342

Formula: C10H13BrO2

MW: 245.11

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	245.11
XLogP3	2.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	244.00989
Monoisotopic Mass	244.00989
Topological Polar Surface Area	29.5 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	151
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR78328-01	2- (4-Bromophenyl) -2-methylpropan-1-ol
OR903940-01	2- (4-Aminophenyl) -2-methylpropan-1-ol
OR110975-01	2- (4-Chlorophenoxy) -2-methylpropan-1-ol
PC5535	1- (4-Fluorophenyl) -2-methylpropan-2-ol
OR77474-01	1- (4-Bromophenyl) -2-methylpropan-2-ol
OR1008948-01	1- (4-Methoxyphenyl) -2-Methylpropan-2-Ol
OR950276-01	1- (4-Methoxyphenyl) -2-methylpropan-1-ol
OR1096558-01	1- (4-cyclohexylphenyl) -2-methylpropan-1-ol
OR1093486-01	1- (4-ethylphenyl) -2-methylpropan-1-ol
OR1080534-01	1- (4-isopropylphenyl) -2-methylpropan-1-ol

Catalog	Name
HBA45437-01	2- (4-Bromophenyl) -2-methylpropan-1-ol
HCA46991-01	1- (4-Bromophenyl) -2-methylpropan-2-ol
413586-01	2- (4-Aminophenyl) -2-methylpropan-1-ol
ZTB66523-01	1- (4-Aminophenoxy) -2-methylpropan-2-ol
FDA85413-01	2- (3,4-Dichlorophenyl) -2-methylpropan-1-ol
HY-W101971S	1- (4-Chlorophenyl) -2-methylpropan-2-ol-d6
413556-01	2- (4- (2,2-Dichlorocyclopropyl) phenoxy) -2-methylpropan-1-ol
TRC-D434045-10MG	2-(4-(2,2-Dichlorocyclopropyl)phenoxy)-2-methylpropan-1-ol
KAA40018-01	1- (4-Chlorophenyl) -2-methylpropan-1-ol
LXB58431-01	3- (4-Fluorophenyl) -2-methylpropan-1-ol