Name: Name:1,5-Methano-1H-3-benzazepine,2,3,4,5-tetrahydro-7-nitro-3-(trifluoroacetyl)-
Brand: Angene
SKU: AG00ILYV
Rating: 90 (10 reviews)

1,5-Methano-1H-3-benzazepine,2,3,4,5-tetrahydro-7-nitro-3-(trifluoroacetyl)-

CAS No.:

230615-53-9

Catalog Number:

AG00ILYV

Molecular Formula:

C13H11F3N2O3

Molecular Weight:

300.2332

Catalog Number:

AG00ILYV

Chemical Name:

1,5-Methano-1H-3-benzazepine,2,3,4,5-tetrahydro-7-nitro-3-(trifluoroacetyl)-

CAS Number:

230615-53-9

Molecular Formula:

C13H11F3N2O3

Molecular Weight:

300.2332

MDL Number:

MFCD27952449

IUPAC Name:

2,2,2-trifluoro-1-(4-nitro-10-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-trien-10-yl)ethanone

InChI:

InChI=1S/C13H11F3N2O3/c14-13(15,16)12(19)17-5-7-3-8(6-17)11-4-9(18(20)21)1-2-10(7)11/h1-2,4,7-8H,3,5-6H2

InChI Key:

QIRWLPNFDZWWIS-UHFFFAOYSA-N

SMILES:

O=C(C(F)(F)F)N1CC2CC(C1)c1c2cc(cc1)[N+](=O)[O-]

Complexity:

463

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

300.072g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

300.237g/mol

Monoisotopic Mass:

300.072g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

66.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.4