Name: Name:5-Methyl-6-nitro-1,3-benzodioxole
Brand: Angene
SKU: AG00CN4S
Rating: 90 (10 reviews)

5-Methyl-6-nitro-1,3-benzodioxole

CAS No.:

32996-27-3

Catalog Number:

AG00CN4S

Molecular Formula:

C8H7NO4

Molecular Weight:

181.1455

Pack Size

Purity

Availability

Location

Price(USD)

Quantity

250mg

95%

In Stock USA

United States

$94

- +

95%

In Stock USA

United States

$188

- +

95%

In Stock USA

United States

$750

- +

Product Description

Catalog Number:

AG00CN4S

Chemical Name:

5-Methyl-6-nitro-1,3-benzodioxole

CAS Number:

32996-27-3

Molecular Formula:

C8H7NO4

Molecular Weight:

181.1455

MDL Number:

MFCD00229114

IUPAC Name:

5-methyl-6-nitro-1,3-benzodioxole

InChI:

InChI=1S/C8H7NO4/c1-5-2-7-8(13-4-12-7)3-6(5)9(10)11/h2-3H,4H2,1H3

InChI Key:

HSJXVJRZFPZLSP-UHFFFAOYSA-N

SMILES:

[O-][N+](=O)c1cc2OCOc2cc1C

Properties

Complexity:

215

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

181.038g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

181.147g/mol

Monoisotopic Mass:

181.038g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

64.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.9

Literature

Title	Journal
Identification of a novel scaffold for allosteric inhibition of wild type and drug resistant HIV-1 reverse transcriptase by fragment library screening.	Journal of medicinal chemistry 20110210
Theoretical investigation of the excited states of 2-nitrobenzyl and 4,5-methylendioxy-2-nitrobenzyl caging groups.	Photochemistry and photobiology 20090101

Properties