Name: Name:4-(trifluoromethyl)-12-oxa-2,3,5,7-tetraazatricyclo[7.4.0.0,2,6]trideca-1(9),3,5,7-tetraen-13-one
Brand: Angene
SKU: AG019LF6
Rating: 90 (10 reviews)

4-(trifluoromethyl)-12-oxa-2,3,5,7-tetraazatricyclo[7.4.0.0,2,6]trideca-1(9),3,5,7-tetraen-13-one

CAS No.:

1000932-55-7

Catalog Number:

AG019LF6

Molecular Formula:

C9H5F3N4O2

Molecular Weight:

258.1568

Catalog Number:

AG019LF6

Chemical Name:

4-(trifluoromethyl)-12-oxa-2,3,5,7-tetraazatricyclo[7.4.0.0,2,6]trideca-1(9),3,5,7-tetraen-13-one

CAS Number:

1000932-55-7

Molecular Formula:

C9H5F3N4O2

Molecular Weight:

258.1568

MDL Number:

MFCD09971381

IUPAC Name:

4-(trifluoromethyl)-12-oxa-2,3,5,7-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-13-one

InChI:

InChI=1S/C9H5F3N4O2/c10-9(11,12)7-14-8-13-3-4-1-2-18-6(17)5(4)16(8)15-7/h3H,1-2H2

InChI Key:

MWECDJQVERHWDC-UHFFFAOYSA-N

SMILES:

O=C1OCCc2c1n1nc(nc1nc2)C(F)(F)F

Complexity:

364

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

258.036g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

258.16g/mol

Monoisotopic Mass:

258.036g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

69.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.2