Name: Name:6,7-diamino-3,4-dihydro-2H-1,4-benzoxazin-3-one
Brand: Angene
SKU: AG019XD1
Rating: 90 (10 reviews)

6,7-diamino-3,4-dihydro-2H-1,4-benzoxazin-3-one

CAS No.:

106659-52-3

Catalog Number:

AG019XD1

Molecular Formula:

C8H9N3O2

Molecular Weight:

179.1760

Catalog Number:

AG019XD1

Chemical Name:

6,7-diamino-3,4-dihydro-2H-1,4-benzoxazin-3-one

CAS Number:

106659-52-3

Molecular Formula:

C8H9N3O2

Molecular Weight:

179.1760

MDL Number:

MFCD11205097

IUPAC Name:

6,7-diamino-4H-1,4-benzoxazin-3-one

InChI:

InChI=1S/C8H9N3O2/c9-4-1-6-7(2-5(4)10)13-3-8(12)11-6/h1-2H,3,9-10H2,(H,11,12)

InChI Key:

VNKUIKNSFVLUJF-UHFFFAOYSA-N

SMILES:

O=C1COc2c(N1)cc(c(c2)N)N

Complexity:

221

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

179.069g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

179.179g/mol

Monoisotopic Mass:

179.069g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

90.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-0.5