Name: Name:3-(7-bromo-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)propanoic acid
Brand: Angene
SKU: AG019NAP
Rating: 90 (10 reviews)

3-(7-bromo-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)propanoic acid

CAS No.:

1087784-75-5

Catalog Number:

AG019NAP

Molecular Formula:

C11H10BrNO4

Molecular Weight:

300.1054

Catalog Number:

AG019NAP

Chemical Name:

3-(7-bromo-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)propanoic acid

CAS Number:

1087784-75-5

Molecular Formula:

C11H10BrNO4

Molecular Weight:

300.1054

MDL Number:

MFCD11505521

IUPAC Name:

3-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)propanoic acid

InChI:

InChI=1S/C11H10BrNO4/c12-7-1-2-8-9(5-7)17-6-10(14)13(8)4-3-11(15)16/h1-2,5H,3-4,6H2,(H,15,16)

InChI Key:

IWEVEABQPMVYFG-UHFFFAOYSA-N

SMILES:

OC(=O)CCN1C(=O)COc2c1ccc(c2)Br

Complexity:

323

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

298.979g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

300.108g/mol

Monoisotopic Mass:

298.979g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

66.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.2