Name: Name:Benzaldehyde,2-methyl-3-nitro-
Brand: Angene
SKU: AG007MWC
Rating: 90 (10 reviews)

Benzaldehyde,2-methyl-3-nitro-

CAS No.:

23876-12-2

Catalog Number:

AG007MWC

Molecular Formula:

C8H7NO3

Molecular Weight:

165.1461

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Product Description

Catalog Number:

AG007MWC

Chemical Name:

Benzaldehyde,2-methyl-3-nitro-

CAS Number:

23876-12-2

Molecular Formula:

C8H7NO3

Molecular Weight:

165.1461

MDL Number:

MFCD07772901

IUPAC Name:

2-methyl-3-nitrobenzaldehyde

InChI:

InChI=1S/C8H7NO3/c1-6-7(5-10)3-2-4-8(6)9(11)12/h2-5H,1H3

InChI Key:

ATLCWADLCUCTLL-UHFFFAOYSA-N

SMILES:

O=Cc1cccc(c1C)[N+](=O)[O-]

NSC Number:

95687

Properties

Complexity:

187

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

165.043g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

165.148g/mol

Monoisotopic Mass:

165.043g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

62.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.9

Literature

Title	Journal
(2-Methyl-3-nitro-phen-yl)methanol.	Acta crystallographica. Section E, Structure reports online 20090801