1- (4-chlorophenyl) propan-2-ol

CAT: 0127-OR1093558-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1093558-01Size:250 mg

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

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CAS Number

702-10-3

Purity

97%

Smiles

C1c (ccc (c1) CC (O) C) Cl

Chemical Information

1-(4-Chlorophenyl)propan-2-ol

CAS Number	702-10-3
PubChem CID	12499851
IUPAC Name	1-(4-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	2
Heavy Atom Count	11
Formal Charge	0
Complexity	108

SMILES

CC(CC1=CC=C(C=C1)Cl)O

InChI

InChI=1S/C9H11ClO/c1-7(11)6-8-2-4-9(10)5-3-8/h2-5,7,11H,6H2,1H3

InChIKey

NIMKQJOVJKIOPX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 702-10-3

CID: 12499851

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	2
Exact Mass	170.0498427
Monoisotopic Mass	170.0498427
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	108
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
OR962886-01	2- (4-Chlorophenyl) propan-2-ol
OR1038280-01	1- (4-Chlorophenyl) propan-1-ol
OR900157	3- (2-Chlorophenyl) propan-1-ol
OR74136-01	2-Amino-3- (4-chlorophenyl) propan-1-ol
OR1057103-01	1- (3-Chlorophenyl) propan-2-ol
OR962887-01	2- (2-Chlorophenyl) propan-2-ol
OR1086660-01	2- (4-bromo-3-chlorophenyl) propan-2-ol
OR907262-01	2- (3-Chlorophenyl) propan-2-ol
OR1084798-01	1- (3-bromo-2-chlorophenyl) propan-1-ol
OR1084638-01	1- (5-bromo-2-chlorophenyl) propan-1-ol

Catalog	Name
BAA98925	2- (4-Chlorophenyl) propan-2-ol
AKB30700-01	2- (4-Bromo-2-chlorophenyl) propan-2-ol
GBA00287-01	2- (3-Chlorophenyl) propan-2-ol
TRC-C596505-1G	3-(4-Chlorophenyl)propan-1-ol
sc-275743	3- (4-Chlorophenyl) propan-1-ol
NAA85685	1- (4-Chlorophenyl) propan-1-ol
WAA46446-01	3-Amino-2- (4-chlorophenyl) propan-1-ol
AZB59965-01	1-Amino-3- (4-chlorophenyl) propan-2-ol
GAA28287-01	3- (2-Chlorophenyl) propan-1-ol
NCA48971-01	2- (3-Chlorophenyl) propan-1-ol