Name: Name:2H-1,4-Benzoxazin-3(4H)-one, 7-nitro-4-(2-pyridinylmethyl)-
Brand: Angene
SKU: AG000QBI
Rating: 90 (10 reviews)

2H-1,4-Benzoxazin-3(4H)-one, 7-nitro-4-(2-pyridinylmethyl)-

CAS No.:

120101-66-8

Catalog Number:

AG000QBI

Molecular Formula:

C14H11N3O4

Molecular Weight:

285.2548

Catalog Number:

AG000QBI

Chemical Name:

2H-1,4-Benzoxazin-3(4H)-one, 7-nitro-4-(2-pyridinylmethyl)-

CAS Number:

120101-66-8

Molecular Formula:

C14H11N3O4

Molecular Weight:

285.2548

MDL Number:

MFCD21603877

IUPAC Name:

7-nitro-4-(pyridin-2-ylmethyl)-1,4-benzoxazin-3-one

InChI:

InChI=1S/C14H11N3O4/c18-14-9-21-13-7-11(17(19)20)4-5-12(13)16(14)8-10-3-1-2-6-15-10/h1-7H,8-9H2

InChI Key:

BVXQKNPVJURLCC-UHFFFAOYSA-N

SMILES:

O=C1COc2c(N1Cc1ccccn1)ccc(c2)[N+](=O)[O-]

Complexity:

412

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

285.075g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

285.259g/mol

Monoisotopic Mass:

285.075g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

88.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.3