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Home > Nitro Compounds > 138779-70-1
138779-70-1 | Quinoline, 2,4,8-trimethyl-7-nitro-
CAS No: 138779-70-1 Catalog No: AG0019KI MDL No:
Product Description
Catalog Number:
AG0019KI
Chemical Name:
Quinoline, 2,4,8-trimethyl-7-nitro-
CAS Number:
138779-70-1
Molecular Formula:
C12H12N2O2
Molecular Weight:
216.2359
IUPAC Name:
2,4,8-trimethyl-7-nitroquinoline
InChI:
InChI=1S/C12H12N2O2/c1-7-6-8(2)13-12-9(3)11(14(15)16)5-4-10(7)12/h4-6H,1-3H3
InChI Key:
XWYCMGLARBKKAH-UHFFFAOYSA-N
SMILES:
Cc1cc(C)c2c(n1)c(C)c(cc2)[N+](=O)[O-]
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.09g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.24g/mol
Monoisotopic Mass:
216.09g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
58.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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