Plerixafor Impurity 22

CAT: 1299-RM-P122451-02Size: 25 mgDry Ice: NoHazardous: No

1 / 1

CAT#:1299-RM-P122451-02Size:25 mg

Selected

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

Quick Request Actions

CAS Number

7398-44-9

Synonyms

1- (chloromethyl) -4- (dichloromethyl) benzene

Molecular Formula

C8H7Cl3

Molecular Weight

209.49

Target Alternative Name

Plerixafor

Product Name Synonym

1- (chloromethyl) -4- (dichloromethyl) benzene

Chemical Information

1-(Chloromethyl)-4-(dichloromethyl)benzene

CAS Number	7398-44-9
PubChem CID	81883
IUPAC Name	1-(chloromethyl)-4-(dichloromethyl)benzene
Molecular Formula	C8H7Cl3
Molecular Weight	209.5
XLogP	3.4
Topological Polar Surface Area	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	2
Heavy Atom Count	11
Formal Charge	0
Complexity	106

SMILES

C1=CC(=CC=C1CCl)C(Cl)Cl

InChI

InChI=1S/C8H7Cl3/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4,8H,5H2

InChIKey

VQJFMEVGEQWOFW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 7398-44-9

CID: 81883

Formula: C8H7Cl3

MW: 209.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	209.5
XLogP3	3.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	2
Exact Mass	207.961333
Monoisotopic Mass	207.961333
Topological Polar Surface Area	0 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	106
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