| CAS Number | 755026-53-0 |
| Catalog Number | AG00G7VX(AGN-PC-0HAZHD) |
| Chemical Name | 3-Bromo-5H-dibenzo[b,e][1,4]diazepin-11(10H)-one |
| IUPAC Name | 9-bromo-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one |
| InChI | InChI=1S/C13H9BrN2O/c14-8-5-6-9-12(7-8)15-10-3-1-2-4-11(10)16-13(9)17/h1-7,15H,(H,16,17) |
| InChI Key | MQKNIAACUFZSAW-UHFFFAOYSA-N |
| MDL Number | MFCD13192151 |
| Molecular Formula | C13H9BrN2O |
| Molecular Weight | 289.1274 |
| SMILES | BrC1=CC=C2C(NC3=CC=CC=C3NC2=O)=C1 |
| Synonyms | 3-Bromo-5H-dibenzo[b,e][1,4]diazepin-11(10H)-one,
755026-53-0,
11H-Dibenzo[b,e][1,4]diazepin-11-one, 3-bromo-5,10-dihydro-,
SCHEMBL1290945,
MQKNIAACUFZSAW-UHFFFAOYSA-N,
MFCD13192151,
ZINC87493613,
AS-53546,
Y6379,
3-bromo-5,10-dihydro-11H-dibenzo[b,e][1,4]diazepin-11-one,
C13H9BrN2O,
|
| Complexity | 310 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 287.99g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 289.132g/mol |
| Monoisotopic Mass | 287.99g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 41.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number