Phenylephrine Impurity 20

CAT: 1596-AR-P31289-04Size: 100 UnitsDry Ice: NoHazardous: No

1 / 1

CAT#:1596-AR-P31289-04Size:100 Units

Selected

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

Quick Request Actions

CAS Number

1378757-22-2

Synonyms

3- (2-chloro-1-hydroxyethyl) phenol

Molecular Formula

C8H9ClO2

Molecular Weight

172.61

API Name

Phenylephrine

Chemical Information

2-Chloro-1-(3-hydroxyphenyl)-ethanol

CAS Number	1378757-22-2
PubChem CID	22491770
IUPAC Name	3-(2-chloro-1-hydroxyethyl)phenol
Molecular Formula	C8H9ClO2
Molecular Weight	172.61
XLogP	0.7
Topological Polar Surface Area	40.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	11
Formal Charge	0
Complexity	119

SMILES

C1=CC(=CC(=C1)O)C(CCl)O

InChI

InChI=1S/C8H9ClO2/c9-5-8(11)6-2-1-3-7(10)4-6/h1-4,8,10-11H,5H2

InChIKey

CLHYCWXPCNBCSH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1378757-22-2

CID: 22491770

Formula: C8H9ClO2

MW: 172.61

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	172.61
XLogP3	0.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	172.0291072
Monoisotopic Mass	172.0291072
Topological Polar Surface Area	40.5 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	119
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
MBS6028149-01	rac Benzyl Phenylephrine (Phenylephrine Impurity D)
TRC-B288630-10MG	rac Benzyl Phenylephrine(Phenylephrine Impurity D)
RM-P141284-01	Phenylephrine Impurity 84
RM-P141299-01	Phenylephrine Impurity 99
RM-P141298-01	Phenylephrine Impurity 98
RM-P141297-01	Phenylephrine Impurity 97
RM-P141269-01	Phenylephrine Impurity 69
RM-P141278-01	Phenylephrine Impurity 78
RM-P141201-01	Phenylephrine EP Impurity A
RM-P141216-01	Phenylephrine Impurity 16