Name: Name:6-Methyl-5-nitroisoquinoline
Brand: Angene
SKU: AG002GPY
Rating: 90 (10 reviews)

6-Methyl-5-nitroisoquinoline

CAS No.:

188121-31-5

Catalog Number:

AG002GPY

Molecular Formula:

C10H8N2O2

Molecular Weight:

188.1827

Pack Size

Purity

Availability

Location

Price(USD)

Quantity

95%

1 week

United States

$177

- +

Product Description

Catalog Number:

AG002GPY

Chemical Name:

6-Methyl-5-nitroisoquinoline

CAS Number:

188121-31-5

Molecular Formula:

C10H8N2O2

Molecular Weight:

188.1827

MDL Number:

MFCD11848649

IUPAC Name:

6-methyl-5-nitroisoquinoline

InChI:

InChI=1S/C10H8N2O2/c1-7-2-3-8-6-11-5-4-9(8)10(7)12(13)14/h2-6H,1H3

InChI Key:

YYPKZGWCMPOFRV-UHFFFAOYSA-N

SMILES:

[O-][N+](=O)c1c(C)ccc2c1ccnc2

EC Number:

606-128-9

Properties

Complexity:

227

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

188.059g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

188.186g/mol

Monoisotopic Mass:

188.059g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

58.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.3

Literature

Title	Journal
Selective ortho methylation of nitroheteroaryls by vicarious nucleophilic substitution.	The Journal of organic chemistry 20080905