1- (2,6-Dichlorophenyl) propan-1-ol

CAT: 0926-KIB92530-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-KIB92530-01Size:50 mg

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CAS Number

835925-30-9

MDL Number

MFCD19601668

Smiles

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

Molecular Formula

C9H10Cl2O

Molecular Weight

205.08 g/mol

Controlled

Chemical Information

1-(2,6-Dichlorophenyl)propan-1-ol

CAS Number	835925-30-9
PubChem CID	12105278
IUPAC Name	1-(2,6-dichlorophenyl)propan-1-ol
Molecular Formula	C9H10Cl2O
Molecular Weight	205.08
XLogP	3.2
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Heavy Atom Count	12
Formal Charge	0
Complexity	130

SMILES

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

InChI

InChI=1S/C9H10Cl2O/c1-2-8(12)9-6(10)4-3-5-7(9)11/h3-5,8,12H,2H2,1H3

InChIKey

DNYNWOGJNPYFFD-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 835925-30-9

CID: 12105278

Formula: C9H10Cl2O

MW: 205.08

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	205.08
XLogP3	3.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	204.0108703
Monoisotopic Mass	204.0108703
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	130
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
AXB30117-01	1- (2,6-Dichlorophenyl) propan-2-ol
HHC67812-01	2- (3,4-Dichlorophenyl) propan-1-ol
DCA98412-01	1- (3,4-Dichlorophenyl) propan-1-ol
LAC79292-01	1- (2,6-Dichlorophenyl) propan-1-one
TDC85595-01	1- (3,5-Dichlorophenyl) propan-1-ol
PDA65571-01	2- (2,6-Dichlorophenyl) propan-1-amine
MCA43653-01	2- (2,5-Dichlorophenyl) propan-2-ol
ZZB15621-01	1- (2,6-Dichlorophenyl) cyclopropan-1-ol
PBA96005-01	3- (3,4-Dichlorophenyl) propan-1-ol
ZEA28591-01	1- (2,6-Dichlorophenyl) -2-methylpropan-1-ol

Catalog	Name
OR1091430-01	1- (3-bromo-2,6-dichlorophenyl) propan-1-ol
OR1033636-01	1- (2,4-Dichlorophenyl) propan-2-ol
OR1093172-01	2- (2,5-dichlorophenyl) propan-2-ol
OR1089950-01	2- (2,4-dichlorophenyl) propan-2-ol
OR1082481-01	2- (2,3-dichlorophenyl) propan-2-ol
TRC-D121480-1G	2-(3,5-Dichlorophenyl)propan-2-ol
OR1092150-01	2- (3,4-dichlorophenyl) propan-2-ol
OR1082617	1- (3,5-dichlorophenyl) propan-1-ol
OR1090984-01	1- (3-bromo-2,5-dichlorophenyl) propan-1-ol
OR1081459-01	1- (2,6-dichlorophenyl) -2-methylpropan-1-ol