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Carbamazepine Impurity 14

CAT: 1299-RM-C021314-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-C021314-01Size:10 mg
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CAS Number
2512216-68-9
Synonyms
10-bromo-10,11-dihydro-5H-dibenzo[b, f]azepine-5-carbonyl bromide
Molecular Formula
C15H11Br2NO
Molecular Weight
381.07
Target Alternative Name
Carbamazepine
Product Name Synonym
10-bromo-10,11-dihydro-5H-dibenzo[b, f]azepine-5-carbonyl bromide

Chemical Information

10-Bromo-10,11-dihydro-5H-dibenzo[b,f]azepine-5-carbonyl Bromide
CAS Number2512216-68-9
PubChem CID169435004
IUPAC Name5-bromo-5,6-dihydrobenzo[b][1]benzazepine-11-carbonyl bromide
Molecular FormulaC15H11Br2NO
Molecular Weight381.06
XLogP4.6
Topological Polar Surface Area20.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count19
Formal Charge0
Complexity349
SMILES
C1C(C2=CC=CC=C2N(C3=CC=CC=C31)C(=O)Br)Br
InChI
InChI=1S/C15H11Br2NO/c16-12-9-10-5-1-3-7-13(10)18(15(17)19)14-8-4-2-6-11(12)14/h1-8,12H,9H2
InChIKey
VQWQTCHQHLQUNI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 10-Bromo-10,11-dihydro-5H-dibenzo[b,f]azepine-5-carbonyl Bromide
CAS: 2512216-68-9
CID: 169435004
Formula: C15H11Br2NO
MW: 381.06
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight381.06
XLogP34.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass380.91869
Monoisotopic Mass378.92074
Topological Polar Surface Area20.3 Ų
Heavy Atom Count19
Formal Charge0
Complexity349
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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