1- (3,5-dichlorophenyl) propan-1-ol

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CAS Number

1343855-95-7

MDL Number

MFCD11521213

Smiles

C1 (cc (cc (c1) C (CC) O) Cl) Cl

Chemical Information

1-(3,5-Dichlorophenyl)propan-1-ol

CAS Number	1343855-95-7
PubChem CID	10998145
IUPAC Name	1-(3,5-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=CC(=CC(=C1)Cl)Cl)O

InChI

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

InChIKey

MSDKSQHCPYGRGP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1343855-95-7

CID: 10998145

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

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Catalog	Name
TDC85595-01	1- (3,5-Dichlorophenyl) propan-1-ol
BAC30202-01	3-Amino-3- (3,5-dichlorophenyl) propan-1-ol
TRC-D121480-1G	2-(3,5-Dichlorophenyl)propan-2-ol
PBA96005-01	3- (3,4-Dichlorophenyl) propan-1-ol
DCA98412-01	1- (3,4-Dichlorophenyl) propan-1-ol
HHC67812-01	2- (3,4-Dichlorophenyl) propan-1-ol
MIB41711-01	(1R) -1- (3,4-Dichlorophenyl) propan-1-ol
HTB39223-01	3-Amino-1- (3,4-dichlorophenyl) propan-1-ol
JBD32553-01	2-Amino-2- (3,5-dichlorophenyl) propan-1-ol hydrochloride
XFA61160-01	3-Amino-3- (3,4-dichlorophenyl) propan-1-ol