Name: Name:3-bromo-5H,6H,8H,9H-[1,2,4]triazolo[4,3-d][1,4]oxazepine
Brand: Angene
SKU: AG01DVU2
Rating: 90 (10 reviews)

3-bromo-5H,6H,8H,9H-[1,2,4]triazolo[4,3-d][1,4]oxazepine

CAS No.:

1782346-41-1

Catalog Number:

AG01DVU2

Molecular Formula:

C6H8BrN3O

Molecular Weight:

218.0512

Catalog Number:

AG01DVU2

Chemical Name:

3-bromo-5H,6H,8H,9H-[1,2,4]triazolo[4,3-d][1,4]oxazepine

CAS Number:

1782346-41-1

Molecular Formula:

C6H8BrN3O

Molecular Weight:

218.0512

MDL Number:

MFCD28531445

IUPAC Name:

3-bromo-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]oxazepine

InChI:

InChI=1S/C6H8BrN3O/c7-6-9-8-5-1-3-11-4-2-10(5)6/h1-4H2

InChI Key:

WLNSMVZKTJRJBL-UHFFFAOYSA-N

SMILES:

Brc1nnc2n1CCOCC2

Complexity:

146

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

216.985g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

218.054g/mol

Monoisotopic Mass:

216.985g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

39.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.3