Name: Name:4-chloro-3-azatricyclo[6.2.1.0,2,7]undeca-2(7),3,5-triene-5-carbonitrile
Brand: Angene
SKU: AG01C497
Rating: 90 (10 reviews)

4-chloro-3-azatricyclo[6.2.1.0,2,7]undeca-2(7),3,5-triene-5-carbonitrile

CAS No.:

1510965-06-6

Catalog Number:

AG01C497

Molecular Formula:

C11H9ClN2

Molecular Weight:

204.6556

Catalog Number:

AG01C497

Chemical Name:

4-chloro-3-azatricyclo[6.2.1.0,2,7]undeca-2(7),3,5-triene-5-carbonitrile

CAS Number:

1510965-06-6

Molecular Formula:

C11H9ClN2

Molecular Weight:

204.6556

MDL Number:

MFCD24121721

IUPAC Name:

4-chloro-3-azatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene-5-carbonitrile

InChI:

InChI=1S/C11H9ClN2/c12-11-8(5-13)4-9-6-1-2-7(3-6)10(9)14-11/h4,6-7H,1-3H2

InChI Key:

AFMFLAFHRUXVRV-UHFFFAOYSA-N

SMILES:

N#Cc1cc2C3CCC(c2nc1Cl)C3

Complexity:

295

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

204.045g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

204.657g/mol

Monoisotopic Mass:

204.045g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

36.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.5