Name: Name:3,9-dibromo-5H,6H,8H,9H-[1,2,4]triazolo[4,3-d][1,4]oxazepine
Brand: Angene
SKU: AG01C0DQ
Rating: 90 (10 reviews)

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

CAS No.:

2060053-25-8

Catalog Number:

AG01C0DQ

Molecular Formula:

C6H7Br2N3O

Molecular Weight:

296.9473

Catalog Number:

AG01C0DQ

Chemical Name:

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

CAS Number:

2060053-25-8

Molecular Formula:

C6H7Br2N3O

Molecular Weight:

296.9473

MDL Number:

MFCD30497951

IUPAC Name:

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

InChI:

InChI=1S/C6H7Br2N3O/c7-4-3-12-2-1-11-5(4)9-10-6(11)8/h4H,1-3H2

InChI Key:

BVDSQRIVRFWTPX-UHFFFAOYSA-N

SMILES:

BrC1COCCn2c1nnc2Br

Complexity:

171

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

296.894g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

296.95g/mol

Monoisotopic Mass:

294.896g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

39.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.6