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Home > Nitro Compounds > 2059971-30-9
2059971-30-9 | (4-ethyl-2-methyl-6-nitroquinolin-3-yl)methanol
CAS No: 2059971-30-9 Catalog No: AG01BP1M MDL No:MFCD30499799
Product Description
Catalog Number:
AG01BP1M
Chemical Name:
(4-ethyl-2-methyl-6-nitroquinolin-3-yl)methanol
CAS Number:
2059971-30-9
Molecular Formula:
C13H14N2O3
Molecular Weight:
246.2619
MDL Number:
MFCD30499799
IUPAC Name:
(4-ethyl-2-methyl-6-nitroquinolin-3-yl)methanol
InChI:
InChI=1S/C13H14N2O3/c1-3-10-11-6-9(15(17)18)4-5-13(11)14-8(2)12(10)7-16/h4-6,16H,3,7H2,1-2H3
InChI Key:
OHITUYCGMYPGOV-UHFFFAOYSA-N
SMILES:
CCc1c(CO)c(C)nc2c1cc(cc2)[N+](=O)[O-]
Properties
Complexity:
305
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.1g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
246.266g/mol
Monoisotopic Mass:
246.1g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
78.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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