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115584-26-4 | Benzene, 1-[[(1-chlorocyclobutyl)methyl]thio]-2,4-dinitro-
CAS No: 115584-26-4 Catalog No: AG000G79 MDL No:
Product Description
Catalog Number:
AG000G79
Chemical Name:
Benzene, 1-[[(1-chlorocyclobutyl)methyl]thio]-2,4-dinitro-
CAS Number:
115584-26-4
Molecular Formula:
C11H11ClN2O4S
Molecular Weight:
302.7340
IUPAC Name:
1-[(1-chlorocyclobutyl)methylsulfanyl]-2,4-dinitrobenzene
InChI:
InChI=1S/C11H11ClN2O4S/c12-11(4-1-5-11)7-19-10-3-2-8(13(15)16)6-9(10)14(17)18/h2-3,6H,1,4-5,7H2
InChI Key:
FJJCLRVSJAWTSJ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(ccc1SCC1(Cl)CCC1)[N+](=O)[O-]
Properties
Complexity:
367
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.013g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
302.729g/mol
Monoisotopic Mass:
302.013g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
117A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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