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Home > Nitro Compounds > 13171-59-0
13171-59-0 | Benzene, 1,2,3,4,5-pentamethyl-6-nitro-
CAS No: 13171-59-0 Catalog No: AG000ZM4 MDL No:MFCD27943521
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:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.11g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
193.246g/mol
Monoisotopic Mass:
193.11g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
Literature
| Title | Journal |
|---|---|
| 1-Bromo-4-methyl-2-nitro-benzene. | Acta crystallographica. Section E, Structure reports online 20111001 |
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