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N-Acetyl Iminostilbene

CAT: 1299-RM-I131401-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-I131401-01Size:10 mg
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CAS Number
19209-60-0
Synonyms
1- (5H-dibenzo[b, f]azepin-5-yl) ethanone
Molecular Formula
C16H13NO
Molecular Weight
235.28
Target Alternative Name
Iminostilbene
Product Name Synonym
1- (5H-dibenzo[b, f]azepin-5-yl) ethanone

Chemical Information

1-Benzo[b][1]benzazepin-11-ylethanone

1-(5H-dibenzo[b,f]azepin-5-yl)ethan-1-one is a dibenzooxazepine.

CAS Number19209-60-0
PubChem CID606375
IUPAC Name1-benzo[b][1]benzazepin-11-ylethanone
Molecular FormulaC16H13NO
Molecular Weight235.28
XLogP3
Topological Polar Surface Area20.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count18
Formal Charge0
Complexity323
SMILES
CC(=O)N1C2=CC=CC=C2C=CC3=CC=CC=C31
InChI
InChI=1S/C16H13NO/c1-12(18)17-15-8-4-2-6-13(15)10-11-14-7-3-5-9-16(14)17/h2-11H,1H3
InChIKey
OSQPHLCMJMVXLB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Benzo[b][1]benzazepin-11-ylethanone
CAS: 19209-60-0
CID: 606375
Formula: C16H13NO
MW: 235.28
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight235.28
XLogP33
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass235.099714038
Monoisotopic Mass235.099714038
Topological Polar Surface Area20.3 Ų
Heavy Atom Count18
Formal Charge0
Complexity323
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