Name: Name:8-Bromo-2,3,4,5-tetrahydro-1h-1,4-benzodiazepin-5-one
Brand: Angene
SKU: AG01BHOG
Rating: 90 (10 reviews)

8-Bromo-2,3,4,5-tetrahydro-1h-1,4-benzodiazepin-5-one

CAS No.:

1379324-91-0

Catalog Number:

AG01BHOG

Molecular Formula:

C9H9BrN2O

Molecular Weight:

241.0846

Catalog Number:

AG01BHOG

Chemical Name:

8-Bromo-2,3,4,5-tetrahydro-1h-1,4-benzodiazepin-5-one

CAS Number:

1379324-91-0

Molecular Formula:

C9H9BrN2O

Molecular Weight:

241.0846

MDL Number:

MFCD16657835

IUPAC Name:

8-bromo-1,2,3,4-tetrahydro-1,4-benzodiazepin-5-one

InChI:

InChI=1S/C9H9BrN2O/c10-6-1-2-7-8(5-6)11-3-4-12-9(7)13/h1-2,5,11H,3-4H2,(H,12,13)

InChI Key:

VEGQVKQLPZPWOM-UHFFFAOYSA-N

SMILES:

Brc1ccc2c(c1)NCCNC2=O

Complexity:

210

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

239.99g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

241.088g/mol

Monoisotopic Mass:

239.99g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

41.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.6