(S) -1- (2-Bromophenyl) ethanol

CAT: 0127-OR75613-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-OR75613-01Size:1 g

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CAS Number

114446-55-8

MDL Number

MFCD00004509

Purity

98%

Smiles

C[C@H](O)C1=CC=CC=C1Br

Chemical Information

1-(2-Bromophenyl)ethan-1-ol

CAS Number	114446-55-8
PubChem CID	6950331
IUPAC Name	(1S)-1-(2-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=C1Br)O

InChI

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

InChIKey

DZLZSFZSPIUINR-LURJTMIESA-N

Chemical Structure

2D Structure

CAS: 114446-55-8

CID: 6950331

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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