1- (4-Chlorophenyl) Ethanol

CAT: 0127-OR1008943-01Size: 5 gDry Ice: NoHazardous: No

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CAT#:0127-OR1008943-01Size:5 g

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CAS Number

3391-10-4

MDL Number

MFCD00041038

Purity

98%

Smiles

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

Chemical Information

Benzenemethanol, 4-chloro-alpha-methyl-

CAS Number	3391-10-4
PubChem CID	18825
IUPAC Name	1-(4-chlorophenyl)ethanol
Molecular Formula	C8H9ClO
Molecular Weight	156.61
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	97

SMILES

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

InChI

InChI=1S/C8H9ClO/c1-6(10)7-2-4-8(9)5-3-7/h2-6,10H,1H3

InChIKey

MVOSNPUNXINWAD-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 3391-10-4

CID: 18825

Formula: C8H9ClO

MW: 156.61

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	156.61
XLogP3	2.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	156.0341926
Monoisotopic Mass	156.0341926
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	97.4
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
OR1079857-01	1- (4-Bromo-2-chlorophenyl) ethanol
OR1080988-01	1- (4- (benzyloxy) -2-chlorophenyl) ethanol
OR1084584-01	1- (3-Bromo-4-chlorophenyl) ethanol
OR1083594-01	1- (4-bromo-3-chlorophenyl) ethanol
OR89711-01	1- (3-Chlorophenyl) ethanol
OR929968-01	1- (2-Chlorophenyl) ethanol
OR15484-01	2-[ (4-Chlorophenyl) thio]ethanol
OR913172-01	(S) -1- (2-Chlorophenyl) ethanol
OR903871-01	(R) -1- (2-Chlorophenyl) ethanol
OR1050032-01	2- (4-Bromo-2-chlorophenyl) ethanol

Catalog	Name
269170-01	1- (4-Chlorophenyl) ethanol
HY-W001946	2- (4-Chlorophenyl) ethanol
ADA96840	(R) -1- (4-Chlorophenyl) ethanol
465214-01	S-1- (4-Chlorophenyl) ethanol
TRC-A604145-250MG	2-Amino-1-(4-chlorophenyl)ethanol
TRC-B682245-50MG	2-(4-Bromo-2-chlorophenyl)ethanol
C385153	2-Chloro-2-(4-chlorophenyl)ethanol
004674	2- (4-Bromo-2-chlorophenyl) ethanol
sc-298189	2-[ (4-Chlorophenyl) sulfanyl]-1-ethanol
sc-341094	2-amino-1- (4-chlorophenyl) ethanol