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113952-20-8 | 5H-Dibenz[b,f]azepine-5-carboxamide, 10-bromo-10,11-dihydro-11-oxo-
CAS No: 113952-20-8 Catalog No: AG000A52 MDL No:
Product Description
Catalog Number:
AG000A52
Chemical Name:
5H-Dibenz[b,f]azepine-5-carboxamide, 10-bromo-10,11-dihydro-11-oxo-
CAS Number:
113952-20-8
Molecular Formula:
C15H11BrN2O2
Molecular Weight:
331.1640
IUPAC Name:
6-bromo-5-oxo-6H-benzo[b][1]benzazepine-11-carboxamide
InChI:
InChI=1S/C15H11BrN2O2/c16-13-9-5-1-3-7-11(9)18(15(17)20)12-8-4-2-6-10(12)14(13)19/h1-8,13H,(H2,17,20)
InChI Key:
PMENNHUFHRUBMF-UHFFFAOYSA-N
SMILES:
BrC1C(=O)c2ccccc2N(c2c1cccc2)C(=O)N
Properties
Complexity:
415
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
331.169g/mol
Monoisotopic Mass:
330g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
63.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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