2,2-dichloro-1-phenylethanol

CAT: 0127-OR1099513-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1099513-01Size:250 mg

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

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CAS Number

2612-36-4

MDL Number

MFCD20621207

Purity

97%

Smiles

C1cccc (c1) C (C (Cl) Cl) O

Chemical Information

2,2-Dichloro-1-phenylethanol

CAS Number	2612-36-4
PubChem CID	10559602
IUPAC Name	2,2-dichloro-1-phenylethanol
Molecular Formula	C8H8Cl2O
Molecular Weight	191.05
XLogP	2.4
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Heavy Atom Count	11
Formal Charge	0
Complexity	111

SMILES

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

InChI

InChI=1S/C8H8Cl2O/c9-8(10)7(11)6-4-2-1-3-5-6/h1-5,7-8,11H

InChIKey

XNSCLDYOTQWNGW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2612-36-4

CID: 10559602

Formula: C8H8Cl2O

MW: 191.05

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	191.05
XLogP3	2.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	189.9952203
Monoisotopic Mass	189.9952203
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	111
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
OR921810-01	2-Phenylethanol
BUP18776	2-Phenylethanol
PC1021566-01	2-fluoro-1-phenylethanol
OR1078171	2-Chloro-1-phenylethanol
OR73309-01	2-Phenoxy-1-phenylethanol
OR92922-01	2- (2-Methoxyphenoxy) -1-phenylethanol
OR1092181-01	2,2,2-tribromo-1-phenylethanol
OR1029263-01	(R) - (-) -2-Chloro-1-Phenylethanol
OR1003089-01	2-Amino-1-phenylethanol hydrochloride
OR1009772-01	2- (4-Methoxyphenoxy) -1-Phenylethanol

Catalog	Name
T0011	2-Phenylethanol
JH198785	2,2,2-Trichloro-1-phenylethanol
HY-59132-01	2-Amino-1-phenylethanol
TRC-P400595-5G	2-Phenoxy-1-phenylethanol
GTR19252073-01	2-Morpholino-1-phenylethanol
EAA44282-01	2-Cyclohexyl-1-phenylethanol
414290-01	2- (Methylamino) -1-phenylethanol
abx187949-01	(+/-)-2-Chloro-1-Phenylethanol
sc-265749	2-Isopropylamino-1-phenylethanol