CAS 260-32-2 | Benz[g]isoquinoline | CAS Number 260-32-2

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260-32-2 | Benz[g]isoquinoline

CAS No: 260-32-2 Catalog No: AG002RCU MDL No:

Product Description

Catalog Number:

AG002RCU

Chemical Name:

Benz[g]isoquinoline

CAS Number:

260-32-2

Molecular Formula:

C13H9N

Molecular Weight:

179.2173

IUPAC Name:

benzo[g]isoquinoline

InChI:

InChI=1S/C13H9N/c1-2-4-11-8-13-9-14-6-5-12(13)7-10(11)3-1/h1-9H

InChI Key:

JWMUHTIFNGYNFA-UHFFFAOYSA-N

SMILES:

c1ccc2c(c1)cc1c(c2)ccnc1

Properties

Complexity:

201

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

179.073g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

179.222g/mol

Monoisotopic Mass:

179.073g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

12.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.1

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101
Influence of weak and strong donor groups on the fluorescence parameters and the intersystem crossing rate constant.	Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20030201