Name: Name:methyl 7-bromo-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-5-carboxylate
Brand: Angene
SKU: AG01ELPD
Rating: 90 (10 reviews)

methyl 7-bromo-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-5-carboxylate

CAS No.:

2092040-62-3

Catalog Number:

AG01ELPD

Molecular Formula:

C10H8BrNO4

Molecular Weight:

286.0788

Catalog Number:

AG01ELPD

Chemical Name:

methyl 7-bromo-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-5-carboxylate

CAS Number:

2092040-62-3

Molecular Formula:

C10H8BrNO4

Molecular Weight:

286.0788

IUPAC Name:

methyl 7-bromo-3-oxo-4H-1,4-benzoxazine-5-carboxylate

InChI:

InChI=1S/C10H8BrNO4/c1-15-10(14)6-2-5(11)3-7-9(6)12-8(13)4-16-7/h2-3H,4H2,1H3,(H,12,13)

InChI Key:

ZWHYBOKQYJERNT-UHFFFAOYSA-N

SMILES:

COC(=O)c1cc(Br)cc2c1NC(=O)CO2

Complexity:

309

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

284.964g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

286.081g/mol

Monoisotopic Mass:

284.964g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

64.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.4