Name: Name:Ethanone, 1-(1,2,4,5-tetrahydro-7,8-dinitro-1,5-methano-3H-3-benzazepin-3-yl)-
Brand: Angene
SKU: AG00IM7N
Rating: 90 (10 reviews)

Ethanone, 1-(1,2,4,5-tetrahydro-7,8-dinitro-1,5-methano-3H-3-benzazepin-3-yl)-

CAS No.:

1213782-02-5

Catalog Number:

AG00IM7N

Molecular Formula:

C13H13N3O5

Molecular Weight:

291.2594

Catalog Number:

AG00IM7N

Chemical Name:

Ethanone, 1-(1,2,4,5-tetrahydro-7,8-dinitro-1,5-methano-3H-3-benzazepin-3-yl)-

CAS Number:

1213782-02-5

Molecular Formula:

C13H13N3O5

Molecular Weight:

291.2594

MDL Number:

MFCD31630859

IUPAC Name:

1-(4,5-dinitro-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-trien-10-yl)ethanone

InChI:

InChI=1S/C13H13N3O5/c1-7(17)14-5-8-2-9(6-14)11-4-13(16(20)21)12(15(18)19)3-10(8)11/h3-4,8-9H,2,5-6H2,1H3

InChI Key:

PMNJLLZLMHRTJK-UHFFFAOYSA-N

SMILES:

CC(=O)N1CC2CC(C1)c1c2cc(c(c1)[N+](=O)[O-])[N+](=O)[O-]

Complexity:

449

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

291.086g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

291.263g/mol

Monoisotopic Mass:

291.086g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

112A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.1