1- (3,5-dibromophenyl) ethanol

CAT: 0127-OR1080749-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1080749-01Size:250 mg

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CAS Number

1175628-76-8

MDL Number

MFCD22573039

Purity

95%

Smiles

C1 (cc (cc (c1) C (C) O) Br) Br

Chemical Information

1-(3,5-Dibromophenyl)ethanol

CAS Number	1175628-76-8
PubChem CID	22355758
IUPAC Name	1-(3,5-dibromophenyl)ethanol
Molecular Formula	C8H8Br2O
Molecular Weight	279.96
XLogP	2.8
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	11
Formal Charge	0
Complexity	119

SMILES

CC(C1=CC(=CC(=C1)Br)Br)O

InChI

InChI=1S/C8H8Br2O/c1-5(11)6-2-7(9)4-8(10)3-6/h2-5,11H,1H3

InChIKey

GCBDPOGOUBGIIC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1175628-76-8

CID: 22355758

Formula: C8H8Br2O

MW: 279.96

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	279.96
XLogP3	2.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	279.89214
Monoisotopic Mass	277.89419
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	119
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR78348-01	2- (2,5-Dibromophenyl) ethanol
OR1099267-01	1- (2,6-Dibromophenyl) ethanol
OR1006740-01	(2S) -2-Amino-2- (3,5-dibromophenyl) ethanol; hydrochloride
OR1095399-01	1- (3,5-Dibromophenyl) pyrrolidine
OR1102414-01	1- (3,5-Dibromophenyl) piperidine
OR1100944-01	1- (3,5-Dibromophenyl) -1-propanone
OR1094383	(3,5-Dibromophenyl) hydrazine
OR1074156-01	(3,5-Dibromophenyl) triphenylsilane
OR77245-01	1- (3,4-Dibromophenyl) ethanone
OR1028127-01	(3,5-Dibromophenyl) Methanamine

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