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Home > Nitro Compounds > 1795462-02-0
1795462-02-0 | 8-[(2-methylpropyl)sulfanyl]-5-nitroquinoline
CAS No: 1795462-02-0 Catalog No: AG01BDIK MDL No:MFCD28012462
Product Description
Catalog Number:
AG01BDIK
Chemical Name:
8-[(2-methylpropyl)sulfanyl]-5-nitroquinoline
CAS Number:
1795462-02-0
Molecular Formula:
C13H14N2O2S
Molecular Weight:
262.3275
MDL Number:
MFCD28012462
IUPAC Name:
8-(2-methylpropylsulfanyl)-5-nitroquinoline
InChI:
InChI=1S/C13H14N2O2S/c1-9(2)8-18-12-6-5-11(15(16)17)10-4-3-7-14-13(10)12/h3-7,9H,8H2,1-2H3
InChI Key:
VOSKQXMKAPDMKY-UHFFFAOYSA-N
SMILES:
CC(CSc1ccc(c2c1nccc2)[N+](=O)[O-])C
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.078g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
262.327g/mol
Monoisotopic Mass:
262.078g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
84A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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