Name: Name:2H-1,4-Benzoxazin-3(4H)-one, 2,2-dimethyl-6-nitro-
Brand: Angene
SKU: AG004QRN
Rating: 90 (10 reviews)

2H-1,4-Benzoxazin-3(4H)-one, 2,2-dimethyl-6-nitro-

CAS No.:

85160-84-5

Catalog Number:

AG004QRN

Molecular Formula:

C10H10N2O4

Molecular Weight:

222.1974

Catalog Number:

AG004QRN

Chemical Name:

2H-1,4-Benzoxazin-3(4H)-one, 2,2-dimethyl-6-nitro-

CAS Number:

85160-84-5

Molecular Formula:

C10H10N2O4

Molecular Weight:

222.1974

MDL Number:

MFCD03427729

IUPAC Name:

2,2-dimethyl-6-nitro-4H-1,4-benzoxazin-3-one

InChI:

InChI=1S/C10H10N2O4/c1-10(2)9(13)11-7-5-6(12(14)15)3-4-8(7)16-10/h3-5H,1-2H3,(H,11,13)

InChI Key:

YKXZRZGZJZYBBH-UHFFFAOYSA-N

SMILES:

O=C1Nc2cc(ccc2OC1(C)C)[N+](=O)[O-]

Complexity:

323

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

222.064g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

222.2g/mol

Monoisotopic Mass:

222.064g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

84.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.3