2- (3-Chlorophenyl) propan-2-ol

CAT: 0127-OR907262-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-OR907262-01Size:1 g

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CAS Number

31002-87-6

MDL Number

MFCD00229409

Purity

95%

Smiles

CC(C)(O)c1cccc(Cl)c1

Chemical Information

Benzenemethanol, 3-chloro-alpha,alpha-dimethyl-

CAS Number	31002-87-6
PubChem CID	593110
IUPAC Name	2-(3-chlorophenyl)propan-2-ol
Molecular Formula	C9H11ClO
Molecular Weight	170.63
XLogP	2.6
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	11
Formal Charge	0
Complexity	134

SMILES

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

InChI

InChI=1S/C9H11ClO/c1-9(2,11)7-4-3-5-8(10)6-7/h3-6,11H,1-2H3

InChIKey

HCPZQCJXGLSMEV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 31002-87-6

CID: 593110

Formula: C9H11ClO

MW: 170.63

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	170.63
XLogP3	2.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	170.0498427
Monoisotopic Mass	170.0498427
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	134
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
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OR1057103-01	1- (3-Chlorophenyl) propan-2-ol
OR962887-01	2- (2-Chlorophenyl) propan-2-ol
OR962886-01	2- (4-Chlorophenyl) propan-2-ol
OR1087830-01	2- (3-bromo-5-chlorophenyl) propan-2-ol
OR1086660-01	2- (4-bromo-3-chlorophenyl) propan-2-ol
OR1093558-01	1- (4-chlorophenyl) propan-2-ol
OR900159	3- (3-Chlorophenyl) propan-1-ol
OR1084798-01	1- (3-bromo-2-chlorophenyl) propan-1-ol
OR74136-01	2-Amino-3- (4-chlorophenyl) propan-1-ol

Catalog	Name
GBA00287-01	2- (3-Chlorophenyl) propan-2-ol
GAA28287-01	3- (2-Chlorophenyl) propan-1-ol
NCA48971-01	2- (3-Chlorophenyl) propan-1-ol
XAA99103-01	3- (3-Chlorophenyl) propan-1-ol
BAA98925	2- (4-Chlorophenyl) propan-2-ol
AZB59962-01	1-Amino-3- (3-chlorophenyl) propan-2-ol
SKC92806-01	1- (3-Chlorophenyl) -3- (dimethylamino) propan-2-ol
ZZB11320-01	1-Amino-2- (3-chlorophenyl) propan-2-ol
TRC-C596505-1G	3-(4-Chlorophenyl)propan-1-ol
sc-275743	3- (4-Chlorophenyl) propan-1-ol