Name: Name:tert-butyl 9-bromo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-4-carboxylate
Brand: Angene
SKU: AG01A4AT
Rating: 90 (10 reviews)

tert-butyl 9-bromo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-4-carboxylate

CAS No.:

1360438-06-7

Catalog Number:

AG01A4AT

Molecular Formula:

C14H19BrN2O2

Molecular Weight:

327.2169

Catalog Number:

AG01A4AT

Chemical Name:

tert-butyl 9-bromo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-4-carboxylate

CAS Number:

1360438-06-7

Molecular Formula:

C14H19BrN2O2

Molecular Weight:

327.2169

MDL Number:

MFCD18762011

IUPAC Name:

tert-butyl 9-bromo-1,2,3,5-tetrahydro-1,4-benzodiazepine-4-carboxylate

InChI:

InChI=1S/C14H19BrN2O2/c1-14(2,3)19-13(18)17-8-7-16-12-10(9-17)5-4-6-11(12)15/h4-6,16H,7-9H2,1-3H3

InChI Key:

FOGWMTVSQYZVEP-UHFFFAOYSA-N

SMILES:

O=C(N1CCNc2c(C1)cccc2Br)OC(C)(C)C

Complexity:

330

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

326.063g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

327.222g/mol

Monoisotopic Mass:

326.063g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

41.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.1