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1029104-40-2 | 4-[Isocyano(toluene-4-sulphonyl)methyl]biphenyl
CAS No: 1029104-40-2 Catalog No: AG01FGFJ MDL No:
Product Description
Catalog Number:
AG01FGFJ
Chemical Name:
4-[Isocyano(toluene-4-sulphonyl)methyl]biphenyl
CAS Number:
1029104-40-2
IUPAC Name:
1-[isocyano-(4-phenylphenyl)methyl]sulfonyl-4-methylbenzene
InChI:
InChI=1S/C21H17NO2S/c1-16-8-14-20(15-9-16)25(23,24)21(22-2)19-12-10-18(11-13-19)17-6-4-3-5-7-17/h3-15,21H,1H3
InChI Key:
XIXROCKJSIJOQD-UHFFFAOYSA-N
Properties
Complexity:
563
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
347.098g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
347.432g/mol
Monoisotopic Mass:
347.098g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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