4-Bromophenethyl alcohol

CAT: 0024-sc-254634Size: 1 gDry Ice: NoHazardous: No

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CAT#:0024-sc-254634Size:1 g

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CAS Number

4654-39-1

Chemical Information

2-(4-Bromophenyl)ethanol

CAS Number	4654-39-1
PubChem CID	72851
IUPAC Name	2-(4-bromophenyl)ethanol
Molecular Formula	C8H9BrO
Molecular Weight	201.06
XLogP	1.5
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=C1CCO)Br

InChI

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

InChIKey

PMOSJSPFNDUAFY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 4654-39-1

CID: 72851

Formula: C8H9BrO

MW: 201.06

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	201.06
XLogP3	1.5
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

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