Tulobuterol Impurity 13

CAT: 1299-RM-T120213-01Size: 10 mgDry Ice: NoHazardous: No

1 / 1

CAT#:1299-RM-T120213-01Size:10 mg

Selected

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

Quick Request Actions

CAS Number

117538-45-1

Synonyms

2-bromo-1- (3-chlorophenyl) ethanol

Molecular Formula

C8H8BrClO

Molecular Weight

235.51

Target Alternative Name

Tulobuterol

Product Name Synonym

2-bromo-1- (3-chlorophenyl) ethanol

Chemical Information

2-Bromo-1-(3-chlorophenyl)ethanol

CAS Number	117538-45-1
PubChem CID	9964694
IUPAC Name	2-bromo-1-(3-chlorophenyl)ethanol
Molecular Formula	C8H8BrClO
Molecular Weight	235.50
XLogP	2.5
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	121

SMILES

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

InChI

InChI=1S/C8H8BrClO/c9-5-8(11)6-2-1-3-7(10)4-6/h1-4,8,11H,5H2

InChIKey

SSQKRNANOICYRX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 117538-45-1

CID: 9964694

Formula: C8H8BrClO

MW: 235.50

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	235.50
XLogP3	2.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	233.94471
Monoisotopic Mass	233.94471
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	121
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