1- (2,4-Dichlorophenyl) propane-1,3-diol

CAT: 0127-OR1049900-01Size: 100 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0127-OR1049900-01Size:100 mg

Selected

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

Quick Request Actions

CAS Number

862188-30-5

MDL Number

MFCD17171020

Purity

95%

Smiles

OC(C1=CC=C(Cl)C=C1Cl)CCO

Chemical Information

1-(2,4-dichlorophenyl)-1,3-Propanediol

CAS Number	862188-30-5
PubChem CID	24777454
IUPAC Name	1-(2,4-dichlorophenyl)propane-1,3-diol
Molecular Formula	C9H10Cl2O2
Molecular Weight	221.08
XLogP	2
Topological Polar Surface Area	40.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	13
Formal Charge	0
Complexity	155

SMILES

C1=CC(=C(C=C1Cl)Cl)C(CCO)O

InChI

InChI=1S/C9H10Cl2O2/c10-6-1-2-7(8(11)5-6)9(13)3-4-12/h1-2,5,9,12-13H,3-4H2

InChIKey

MOOQBDRRMRDOHO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 862188-30-5

CID: 24777454

Formula: C9H10Cl2O2

MW: 221.08

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	221.08
XLogP3	2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	220.0057849
Monoisotopic Mass	220.0057849
Topological Polar Surface Area	40.5 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	155
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
OR1004494	3- (4-Bromophenoxy) propane-1,2-diol
OR1059928-01	2- (4-Propylcyclohexyl) propane-1,3-diol
OR1004695-01	3- (4-Nitrophenoxy) propane-1,2-diol
OR1063233-01	Trans-2- (4-Propylcyclohexyl) propane-1,3-diol
PC405588	3- (4- (Pentafluorosulfanyl) phenoxy) propane-1,2-diol
BUP11225-01	3- (Dodecylamino) propane-1,2-diol
OR1027046-01	3- (Octadecyloxy) Propane-1,2-Diol
PC107201	3- (Hexafluoroisopropoxy) propane-1,2-diol
OR60030	3- (Nonyloxy) propane-1,2-diol
OR1049743-01	3- (Heptyloxy) propane-1,2-diol

Catalog	Name
GTR19228499-01	2- (4-Hydroxyphenyl) propane-1,3-diol
XEA09861-01	2- (4-Chlorophenyl) propane-1,3-diol
MBS5790884	2-(4-Hydroxyphenyl)propane-1,3-diol
AL BD 0610-01	2- (4-methoxyphenyl) propane-1,3-diol
JBA21148-01	3- (4-Nitrophenoxy) propane-1,2-diol
378692	1- (3,4-Dimethoxyphenyl) propane-1,2-diol
MBS5761136	1-(3,4-Dimethoxyphenyl)propane-1,2-diol
RG-P181506-01	Propane-1,2-Diol
277889-01	(E) -2- (4-Fluorobenzylideneamino) Propane-1,3-Diol
WGA41714-01	2- (4-Bromophenyl) propane-1,2-diol