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Carbamazepine Impurity 12

CAT: 1299-RM-C021312-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-C021312-01Size:10 mg
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CAS Number
143667-53-2
Synonyms
10-bromo-5H-dibenzo[b, f]azepine-5-carbonyl chloride
Molecular Formula
C15H9BrClNO
Molecular Weight
334.6
Target Alternative Name
Carbamazepine
Product Name Synonym
10-bromo-5H-dibenzo[b, f]azepine-5-carbonyl chloride

Chemical Information

Carbamazepine Impurity 12
CAS Number143667-53-2
PubChem CID101630130
IUPAC Name5-bromobenzo[b][1]benzazepine-11-carbonyl chloride
Molecular FormulaC15H9BrClNO
Molecular Weight334.59
XLogP4.8
Topological Polar Surface Area20.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count19
Formal Charge0
Complexity398
SMILES
C1=CC=C2C(=C1)C=C(C3=CC=CC=C3N2C(=O)Cl)Br
InChI
InChI=1S/C15H9BrClNO/c16-12-9-10-5-1-3-7-13(10)18(15(17)19)14-8-4-2-6-11(12)14/h1-9H
InChIKey
NXBAPNBYPBFTBE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Carbamazepine Impurity 12
CAS: 143667-53-2
CID: 101630130
Formula: C15H9BrClNO
MW: 334.59
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight334.59
XLogP34.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass332.95560
Monoisotopic Mass332.95560
Topological Polar Surface Area20.3 Ų
Heavy Atom Count19
Formal Charge0
Complexity398
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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