8-Bromo-1,3,4,5-tetrahydro-2h-1,5-benzodiazepin-2-one - CAS 37040-46-3
Catalog: |
BB055448 |
Product Name: |
8-Bromo-1,3,4,5-tetrahydro-2h-1,5-benzodiazepin-2-one |
CAS: |
37040-46-3 |
Synonyms: |
8-Bromo-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one; 8-Bromo-4,5-dihydro-1H-benzo[b][1,4]diazepin-2(3H)-one; 7-bromo-1,2,3,5-tetrahydro-1,5-benzodiazepin-4-one |
IUPAC Name: | 7-bromo-1,2,3,5-tetrahydro-1,5-benzodiazepin-4-one |
Molecular Weight: | 241.08 |
Molecular Formula: | C9H9N2OBr |
Canonical SMILES: | C1CNC2=C(C=C(C=C2)Br)NC1=O |
InChI: | InChI=1S/C9H9BrN2O/c10-6-1-2-7-8(5-6)12-9(13)3-4-11-7/h1-2,5,11H,3-4H2,(H,12,13) |
InChI Key: | FXVWUJGFBZPRNH-UHFFFAOYSA-N |
Complexity: | 210 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 239.98983 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 239.98983 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 41.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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