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Home > Nitro Compounds > 68560-11-2
68560-11-2 | 1,3-Benzodioxole, 5-(Methylthio)-6-nitro-
CAS No: 68560-11-2 Catalog No: AG00FJMW MDL No:
Product Description
Catalog Number:
AG00FJMW
Chemical Name:
1,3-Benzodioxole, 5-(Methylthio)-6-nitro-
CAS Number:
68560-11-2
IUPAC Name:
5-methylsulfanyl-6-nitro-1,3-benzodioxole
InChI:
InChI=1S/C8H7NO4S/c1-14-8-3-7-6(12-4-13-7)2-5(8)9(10)11/h2-3H,4H2,1H3
InChI Key:
ORRBEKAGKSBWCY-UHFFFAOYSA-N
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.01g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
213.207g/mol
Monoisotopic Mass:
213.01g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
89.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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