4- (2-Bromoethyl) phenol

CAT: 0127-OR45134-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-OR45134-01Size:1 g

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CAS Number

14140-15-9

Synonyms

4-Hydroxyphenethyl bromide

MDL Number

MFCD00129679

Purity

97%

Smiles

Oc1ccc(CCBr)cc1

Chemical Information

4-(2-Bromoethyl)phenol

CAS Number	14140-15-9
PubChem CID	84221
IUPAC Name	4-(2-bromoethyl)phenol
Molecular Formula	C8H9BrO
Molecular Weight	201.06
XLogP	2.8
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Heavy Atom Count	10
Formal Charge	0
Complexity	87

SMILES

C1=CC(=CC=C1CCBr)O

InChI

InChI=1S/C8H9BrO/c9-6-5-7-1-3-8(10)4-2-7/h1-4,10H,5-6H2

InChIKey

DYYVTFCYVZEQDG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 14140-15-9

CID: 84221

Formula: C8H9BrO

MW: 201.06

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	201.06
XLogP3	2.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	199.98368
Monoisotopic Mass	199.98368
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	87.3
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
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OR1055952	4- (2-Bromoethyl) -2-methoxyphenol
OR1044926-01	Methyl 2- (4- (2-bromoethyl) phenyl) acetate
OR1079140-01	4- (2-Bromoethyl) benzenesulfonic Acid
OR1060383-01	4- (2-Bromoethyl) aniline hydrobromide
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OR1031837	4- (2-Bromoethyl) piperidine hydrobromide
OR74433-01	4- (2-Bromoethyl) benzoic acid

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