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138529-90-5 | Butane, 1,1'-[(diazomethylene)bis(sulfonyl)]bis[3-methyl- (9CI)
CAS No: 138529-90-5 Catalog No: AG0019E8 MDL No:
Product Description
Catalog Number:
AG0019E8
Chemical Name:
Butane, 1,1'-[(diazomethylene)bis(sulfonyl)]bis[3-methyl- (9CI)
CAS Number:
138529-90-5
Molecular Formula:
C11H22N2O4S2
Molecular Weight:
310.4334
IUPAC Name:
1-[diazo(3-methylbutylsulfonyl)methyl]sulfonyl-3-methylbutane
InChI:
InChI=1S/C11H22N2O4S2/c1-9(2)5-7-18(14,15)11(13-12)19(16,17)8-6-10(3)4/h9-10H,5-8H2,1-4H3
InChI Key:
INVPZZAWURTZET-UHFFFAOYSA-N
SMILES:
CC(CCS(=O)(=O)C(=[N+]=[N-])S(=O)(=O)CCC(C)C)C
Properties
Complexity:
486
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.102g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
310.427g/mol
Monoisotopic Mass:
310.102g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
87A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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