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59690-97-0 | 10-Bromo-5H-dibenzo[b,f]azepine-5-carboxamide
CAS No: 59690-97-0 Catalog No: AG0032NS MDL No:MFCD12032130
Product Description
Catalog Number:
AG0032NS
Chemical Name:
10-Bromo-5H-dibenzo[b,f]azepine-5-carboxamide
CAS Number:
59690-97-0
Molecular Formula:
C15H11BrN2O
Molecular Weight:
315.1646
MDL Number:
MFCD12032130
IUPAC Name:
5-bromobenzo[b][1]benzazepine-11-carboxamide
InChI:
InChI=1S/C15H11BrN2O/c16-12-9-10-5-1-3-7-13(10)18(15(17)19)14-8-4-2-6-11(12)14/h1-9H,(H2,17,19)
InChI Key:
FGWUKVYDIGVLTD-UHFFFAOYSA-N
SMILES:
BrC1=Cc2ccccc2N(c2c1cccc2)C(=O)N
UNII:
6424369828
Properties
Complexity:
396
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.005g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
315.17g/mol
Monoisotopic Mass:
314.005g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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