Name: Name:6-amino-7-nitro-3,4-dihydro-2H-1,4-benzoxazin-3-one
Brand: Angene
SKU: AG00IF75
Rating: 90 (10 reviews)

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

CAS No.:

885524-69-6

Catalog Number:

AG00IF75

Molecular Formula:

C8H7N3O4

Molecular Weight:

209.1589

Catalog Number:

AG00IF75

Chemical Name:

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

CAS Number:

885524-69-6

Molecular Formula:

C8H7N3O4

Molecular Weight:

209.1589

MDL Number:

MFCD07366371

IUPAC Name:

6-amino-7-nitro-4H-1,4-benzoxazin-3-one

InChI:

InChI=1S/C8H7N3O4/c9-4-1-5-7(2-6(4)11(13)14)15-3-8(12)10-5/h1-2H,3,9H2,(H,10,12)

InChI Key:

UKMPWBSPQZCXLA-UHFFFAOYSA-N

SMILES:

O=C1COc2c(N1)cc(c(c2)[N+](=O)[O-])N

Complexity:

290

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

209.044g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

209.161g/mol

Monoisotopic Mass:

209.044g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

110A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.6