Name: Name:(9S)-5-chloro-1,6,8-triazatricyclo[7.2.1.0,2,7]dodeca-2,4,6-triene
Brand: Angene
SKU: AG01C3KY
Rating: 90 (10 reviews)

(9S)-5-chloro-1,6,8-triazatricyclo[7.2.1.0,2,7]dodeca-2,4,6-triene

CAS No.:

1638603-72-1

Catalog Number:

AG01C3KY

Molecular Formula:

C9H10ClN3

Molecular Weight:

195.6488

Catalog Number:

AG01C3KY

Chemical Name:

(9S)-5-chloro-1,6,8-triazatricyclo[7.2.1.0,2,7]dodeca-2,4,6-triene

CAS Number:

1638603-72-1

Molecular Formula:

C9H10ClN3

Molecular Weight:

195.6488

MDL Number:

MFCD28501654

IUPAC Name:

(9S)-5-chloro-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene

InChI:

InChI=1S/C9H10ClN3/c10-8-2-1-7-9(12-8)11-6-3-4-13(7)5-6/h1-2,6H,3-5H2,(H,11,12)/t6-/m0/s1

InChI Key:

LYFKZCRHQOGULQ-LURJTMIESA-N

SMILES:

Clc1ccc2c(n1)N[C@@H]1CN2CC1

Complexity:

211

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

195.056g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

195.65g/mol

Monoisotopic Mass:

195.056g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

28.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.2