Name: Name:Benzene, 1,2,3,4,5-pentamethyl-6-nitro-
Brand: Angene
SKU: AG000ZM4
Rating: 90 (10 reviews)

Benzene, 1,2,3,4,5-pentamethyl-6-nitro-

CAS No.:

13171-59-0

Catalog Number:

AG000ZM4

Molecular Formula:

C11H15NO2

Molecular Weight:

193.2423

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Product Description

Catalog Number:

AG000ZM4

Chemical Name:

Benzene, 1,2,3,4,5-pentamethyl-6-nitro-

CAS Number:

13171-59-0

Molecular Formula:

C11H15NO2

Molecular Weight:

193.2423

MDL Number:

MFCD27943521

IUPAC Name:

1,2,3,4,5-pentamethyl-6-nitrobenzene

InChI:

InChI=1S/C11H15NO2/c1-6-7(2)9(4)11(12(13)14)10(5)8(6)3/h1-5H3

InChI Key:

RBDSUVKUGRWOPC-UHFFFAOYSA-N

SMILES:

Cc1c(C)c([N+](=O)[O-])c(c(c1C)C)C

Properties

Complexity:

208

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

193.11g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

193.246g/mol

Monoisotopic Mass:

193.11g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

45.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.6

Literature

Title	Journal
1-Bromo-4-methyl-2-nitro-benzene.	Acta crystallographica. Section E, Structure reports online 20111001