Name: Name:Ethanone, 2,2,2-trifluoro-1-(1,2,4,5-tetrahydro-7,8-dinitro-1,5-methano-3H-3-benzazepin-3-yl)-
Brand: Angene
SKU: AG002M2E
Rating: 90 (10 reviews)

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

CAS No.:

230615-59-5

Catalog Number:

AG002M2E

Molecular Formula:

C13H10F3N3O5

Molecular Weight:

345.2308

Catalog Number:

AG002M2E

Chemical Name:

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

CAS Number:

230615-59-5

Molecular Formula:

C13H10F3N3O5

Molecular Weight:

345.2308

MDL Number:

MFCD10566032

IUPAC Name:

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

InChI:

InChI=1S/C13H10F3N3O5/c14-13(15,16)12(20)17-4-6-1-7(5-17)9-3-11(19(23)24)10(18(21)22)2-8(6)9/h2-3,6-7H,1,4-5H2

InChI Key:

BDTXJBWOCIFUMR-UHFFFAOYSA-N

SMILES:

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

Complexity:

537

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

345.057g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

345.234g/mol

Monoisotopic Mass:

345.057g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

112A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.2