Name: Name:Benzonitrile, 4,5-bis(2-methoxyethoxy)-2-nitro-
Brand: Angene
SKU: AG002O4B
Rating: 90 (10 reviews)

Benzonitrile, 4,5-bis(2-methoxyethoxy)-2-nitro-

CAS No.:

236750-65-5

Catalog Number:

AG002O4B

Molecular Formula:

C13H16N2O6

Molecular Weight:

296.2759

Catalog Number:

AG002O4B

Chemical Name:

Benzonitrile, 4,5-bis(2-methoxyethoxy)-2-nitro-

CAS Number:

236750-65-5

Molecular Formula:

C13H16N2O6

Molecular Weight:

296.2759

MDL Number:

MFCD17676647

IUPAC Name:

4,5-bis(2-methoxyethoxy)-2-nitrobenzonitrile

InChI:

InChI=1S/C13H16N2O6/c1-18-3-5-20-12-7-10(9-14)11(15(16)17)8-13(12)21-6-4-19-2/h7-8H,3-6H2,1-2H3

InChI Key:

JNNCLIICKUIURH-UHFFFAOYSA-N

SMILES:

COCCOc1cc([N+](=O)[O-])c(cc1OCCOC)C#N

Complexity:

363

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

296.101g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

296.279g/mol

Monoisotopic Mass:

296.101g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

107A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.1