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Salbutamol Impurity 35

CAT: 1299-RM-S010261-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-S010261-01Size:10 mg
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CAS Number
24085-07-2
Synonyms
2-acetoxy-5- (2-bromoacetyl) benzyl acetate
Molecular Formula
C13H13BrO5
Molecular Weight
329.14
Target Alternative Name
Salbutamol
Product Name Synonym
2-acetoxy-5- (2-bromoacetyl) benzyl acetate

Chemical Information

2-Acetoxy-5-(2-bromoacetyl)benzyl acetate
CAS Number24085-07-2
PubChem CID11278896
IUPAC Name[2-acetyloxy-5-(2-bromoacetyl)phenyl]methyl acetate
Molecular FormulaC13H13BrO5
Molecular Weight329.14
XLogP1.8
Topological Polar Surface Area69.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Heavy Atom Count19
Formal Charge0
Complexity355
SMILES
CC(=O)OCC1=C(C=CC(=C1)C(=O)CBr)OC(=O)C
InChI
InChI=1S/C13H13BrO5/c1-8(15)18-7-11-5-10(12(17)6-14)3-4-13(11)19-9(2)16/h3-5H,6-7H2,1-2H3
InChIKey
QVJPOKCPMZBJOX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Acetoxy-5-(2-bromoacetyl)benzyl acetate
CAS: 24085-07-2
CID: 11278896
Formula: C13H13BrO5
MW: 329.14
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight329.14
XLogP31.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Exact Mass327.99464
Monoisotopic Mass327.99464
Topological Polar Surface Area69.7 Ų
Heavy Atom Count19
Formal Charge0
Complexity355
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

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