1- (3-bromo-2,5-dichlorophenyl) ethanol

CAT: 0127-OR1090714-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1090714-01Size:250 mg

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CAS Number

2921838-57-3

MDL Number

MFCD32705773

Purity

97%

Smiles

C1c (cc (c (c1Br) Cl) C (C) O) Cl

Chemical Information

1-(3-Bromo-2,5-dichlorophenyl)ethanol

CAS Number	2921838-57-3
PubChem CID	177688208
IUPAC Name	1-(3-bromo-2,5-dichlorophenyl)ethanol
Molecular Formula	C8H7BrCl2O
Molecular Weight	269.95
XLogP	3.4
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	12
Formal Charge	0
Complexity	156

SMILES

CC(C1=C(C(=CC(=C1)Cl)Br)Cl)O

InChI

InChI=1S/C8H7BrCl2O/c1-4(12)6-2-5(10)3-7(9)8(6)11/h2-4,12H,1H3

InChIKey

HTZLINBTHVQTMH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2921838-57-3

CID: 177688208

Formula: C8H7BrCl2O

MW: 269.95

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	269.95
XLogP3	3.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	267.90573
Monoisotopic Mass	267.90573
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	156
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
OR1087639-01	1- (4-bromo-2,3-dichlorophenyl) ethanol
OR1095160	1- (3-Bromo-2,6-dichlorophenyl) ethanol
OR953205-01	1- (2,5-Dichlorophenyl) ethanol
OR1006511-01	2-Bromo-1- (3,5-dichlorophenyl) ethanone
OR1080747-01	1- (4-bromo-2,6-dichlorophenyl) ethanol
OR1089270-01	2,2-Dichloro-1- (3,5-dichlorophenyl) ethanol
OR1098278-01	1- (2,3-dichlorophenyl) ethanol
OR1064809-01	2-Amino-2- (3,5-dichlorophenyl) ethanol hydrochloride
OR322080-01	2- (3,4-Dichlorophenyl) ethanol
OR47840-01	2-Bromo-1- (2,5-dichlorophenyl) ethanone

Catalog	Name
FD32993-01	2- (2,5-Dichlorophenyl) ethanol
BAA47512	1- (2,5-Dichlorophenyl) ethanol
LHD98048-01	2-Amino-2- (3,5-dichlorophenyl) ethanol hydrochloride
sc-487636	2- (3,4-Dichlorophenyl) ethanol
sc-334407	(1S) -1- (2,5-dichlorophenyl) ethanol
sc-345356A	(1R) -1- (2,5-dichlorophenyl) ethanol
413364-01	2- (3-Bromo-5-fluorophenyl) ethanol
TRC-A173590-100MG	2-(4-Amino-3,5-dichlorophenyl)-2-(isopentylamino)ethanol
413583-01	2- (4-Amino-3,5-dichlorophenyl) -2- (isopentylamino) ethanol
FD64476-01	2- (2,4-Dichlorophenyl) ethanol