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Home > Nitro Compounds > 6074-15-3
6074-15-3 | Thiocarbonic acid O-(2-sec-butyl-4,6-dinitrophenyl)S-ethyl ester
CAS No: 6074-15-3 Catalog No: AG00F391 MDL No:
Product Description
Catalog Number:
AG00F391
Chemical Name:
Thiocarbonic acid O-(2-sec-butyl-4,6-dinitrophenyl)S-ethyl ester
CAS Number:
6074-15-3
IUPAC Name:
(2-butan-2-yl-4,6-dinitrophenyl) ethylsulfanylformate
InChI:
InChI=1S/C13H16N2O6S/c1-4-8(3)10-6-9(14(17)18)7-11(15(19)20)12(10)21-13(16)22-5-2/h6-8H,4-5H2,1-3H3
InChI Key:
QKKGMEKXCCXHKQ-UHFFFAOYSA-N
Properties
Complexity:
422
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
328.073g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
328.339g/mol
Monoisotopic Mass:
328.073g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
143A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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