Name: Name:2H-1,4-Benzoxazin-3(4H)-one, 6-amino-7-fluoro-4-(2-propynyl)-
Brand: Angene
SKU: AG007GY2
Rating: 90 (10 reviews)

2H-1,4-Benzoxazin-3(4H)-one, 6-amino-7-fluoro-4-(2-propynyl)-

CAS No.:

103361-42-8

Catalog Number:

AG007GY2

Molecular Formula:

C11H9FN2O2

Molecular Weight:

220.1998

Catalog Number:

AG007GY2

Chemical Name:

2H-1,4-Benzoxazin-3(4H)-one, 6-amino-7-fluoro-4-(2-propynyl)-

CAS Number:

103361-42-8

Molecular Formula:

C11H9FN2O2

Molecular Weight:

220.1998

MDL Number:

MFCD03069255

IUPAC Name:

6-amino-7-fluoro-4-prop-2-ynyl-1,4-benzoxazin-3-one

InChI:

InChI=1S/C11H9FN2O2/c1-2-3-14-9-5-8(13)7(12)4-10(9)16-6-11(14)15/h1,4-5H,3,6,13H2

InChI Key:

VHRCRGJPHYNVGS-UHFFFAOYSA-N

SMILES:

Nc1cc2N(CC#C)C(=O)COc2cc1F

Complexity:

338

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

220.065g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

220.203g/mol

Monoisotopic Mass:

220.065g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

55.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.6