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31350-47-7 | 1-[(Diiodomethyl)sulfonyl]-2-methylbenzene
CAS No: 31350-47-7 Catalog No: AG00CUSS MDL No:
Product Description
Catalog Number:
AG00CUSS
Chemical Name:
1-[(Diiodomethyl)sulfonyl]-2-methylbenzene
CAS Number:
31350-47-7
IUPAC Name:
1-(diiodomethylsulfonyl)-2-methylbenzene
InChI:
InChI=1S/C8H8I2O2S/c1-6-4-2-3-5-7(6)13(11,12)8(9)10/h2-5,8H,1H3
InChI Key:
FTUYPKMLUCGZSS-UHFFFAOYSA-N
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
421.833g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
422.019g/mol
Monoisotopic Mass:
421.833g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
42.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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