Tulobuterol Impurity 39

CAT: 1299-RM-T120239-01Size: 10 mgDry Ice: NoHazardous: No

1 / 1

CAT#:1299-RM-T120239-01Size:10 mg

Selected

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

Quick Request Actions

CAS Number

2039-87-4

Synonyms

2-Chlorostyrene; 1-chloro-2-vinylbenzene

Molecular Formula

C8H7Cl

Molecular Weight

138.59

Target Alternative Name

Tulobuterol

Product Name Synonym

2-Chlorostyrene; 1-chloro-2-vinylbenzene

Chemical Information

2-Chlorostyrene

O-chlorostyrene is a clear yellow liquid. (NTP, 1992)

CAS Number	2039-87-4
PubChem CID	14906
IUPAC Name	1-chloro-2-ethenylbenzene
Molecular Formula	C8H7Cl
Molecular Weight	138.59
XLogP	3.4
Topological Polar Surface Area	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	1
Heavy Atom Count	9
Formal Charge	0
Complexity	98

SMILES

C=CC1=CC=CC=C1Cl

InChI

InChI=1S/C8H7Cl/c1-2-7-5-3-4-6-8(7)9/h2-6H,1H2

InChIKey

ISRGONDNXBCDBM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2039-87-4

CID: 14906

Formula: C8H7Cl

MW: 138.59

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	138.59
XLogP3	3.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	1
Exact Mass	138.0236279
Monoisotopic Mass	138.0236279
Topological Polar Surface Area	0 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	98.7
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