Name: Name:6-bromo-4-(prop-2-yn-1-yl)-3,4-dihydro-2H-1,4-benzoxazin-3-one
Brand: Angene
SKU: AG01A2FW
Rating: 90 (10 reviews)

6-bromo-4-(prop-2-yn-1-yl)-3,4-dihydro-2H-1,4-benzoxazin-3-one

CAS No.:

1250958-04-3

Catalog Number:

AG01A2FW

Molecular Formula:

C11H8BrNO2

Molecular Weight:

266.0907

Catalog Number:

AG01A2FW

Chemical Name:

6-bromo-4-(prop-2-yn-1-yl)-3,4-dihydro-2H-1,4-benzoxazin-3-one

CAS Number:

1250958-04-3

Molecular Formula:

C11H8BrNO2

Molecular Weight:

266.0907

MDL Number:

MFCD14638451

IUPAC Name:

6-bromo-4-prop-2-ynyl-1,4-benzoxazin-3-one

InChI:

InChI=1S/C11H8BrNO2/c1-2-5-13-9-6-8(12)3-4-10(9)15-7-11(13)14/h1,3-4,6H,5,7H2

InChI Key:

NCYYKJIGSLBJCU-UHFFFAOYSA-N

SMILES:

Brc1cc2N(CC#C)C(=O)COc2cc1

Complexity:

309

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

264.974g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

266.094g/mol

Monoisotopic Mass:

264.974g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

29.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.9