Products for Research Use Only

Labetalol Impurity 10

CAT: 1596-AR-L06358-01Size: 10 UnitsDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:1596-AR-L06358-01Size:10 Units
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
73866-23-6
Synonyms
5- (2-bromoacetyl) -2-hydroxybenzamide
Molecular Formula
C9H8BrNO3
Molecular Weight
258.07
API Name
Labetalol

Chemical Information

5-(Bromoacetyl)salicylamide
CAS Number73866-23-6
PubChem CID198556
IUPAC Name5-(2-bromoacetyl)-2-hydroxybenzamide
Molecular FormulaC9H8BrNO3
Molecular Weight258.07
XLogP1.5
Topological Polar Surface Area80.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count14
Formal Charge0
Complexity244
SMILES
C1=CC(=C(C=C1C(=O)CBr)C(=O)N)O
InChI
InChI=1S/C9H8BrNO3/c10-4-8(13)5-1-2-7(12)6(3-5)9(11)14/h1-3,12H,4H2,(H2,11,14)
InChIKey
VXWSXLSUWGZOHD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-(Bromoacetyl)salicylamide
CAS: 73866-23-6
CID: 198556
Formula: C9H8BrNO3
MW: 258.07
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight258.07
XLogP31.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass256.96876
Monoisotopic Mass256.96876
Topological Polar Surface Area80.4 Ų
Heavy Atom Count14
Formal Charge0
Complexity244
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes