(S) -1- (3-Bromophenyl) ethanol

CAT: 0127-OR90793-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR90793-01Size:250 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

134615-22-8

MDL Number

MFCD06201859

Purity

98%

Smiles

C[C@H](O)C1=CC(Br)=CC=C1

Chemical Information

(1S)-1-(3-bromophenyl)ethan-1-ol

CAS Number	134615-22-8
PubChem CID	6951261
IUPAC Name	(1S)-1-(3-bromophenyl)ethanol
Molecular Formula	C8H9BrO
Molecular Weight	201.06
XLogP	2.1
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	10
Formal Charge	0
Complexity	105

SMILES

C[C@@H](C1=CC(=CC=C1)Br)O

InChI

InChI=1S/C8H9BrO/c1-6(10)7-3-2-4-8(9)5-7/h2-6,10H,1H3/t6-/m0/s1

InChIKey

ULMJQMDYAOJNCC-LURJTMIESA-N

Chemical Structure

2D Structure

CAS: 134615-22-8

CID: 6951261

Formula: C8H9BrO

MW: 201.06

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	201.06
XLogP3	2.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	199.98368
Monoisotopic Mass	199.98368
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	105
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
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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Catalog	Name
413395-01	2- (3-Bromophenyl) ethanol
JFA61522-01	(S) -1- (3-Bromophenyl) ethanol
JFA61524	(R) -1- (3-Bromophenyl) ethanol
FB19294-01	2- (2-Bromophenyl) ethanol
408035-01	1- (4-Bromophenyl) ethanol
TRC-B686535-25G	2-(2-Bromophenyl)ethanol
FB64472	2- (4-Bromophenyl) ethanol
sc-339283A	(1R) -2-bromo-1- (3-bromophenyl) ethanol
sc-339324	(1S) -2-bromo-1- (3-bromophenyl) ethanol
PAA61528-01	2-Amino-1- (3-bromophenyl) ethanol hydrochloride