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13753-52-1 | Benzene, 1,1'-sulfonylbis[4-isocyanato-
CAS No: 13753-52-1 Catalog No: AG0013I0 MDL No:
Product Description
Catalog Number:
AG0013I0
Chemical Name:
Benzene, 1,1'-sulfonylbis[4-isocyanato-
CAS Number:
13753-52-1
Molecular Formula:
C14H8N2O4S
Molecular Weight:
300.2893
IUPAC Name:
1-isocyanato-4-(4-isocyanatophenyl)sulfonylbenzene
InChI:
InChI=1S/C14H8N2O4S/c17-9-15-11-1-5-13(6-2-11)21(19,20)14-7-3-12(4-8-14)16-10-18/h1-8H
InChI Key:
OHTGNRSDSAOTLT-UHFFFAOYSA-N
SMILES:
O=C=Nc1ccc(cc1)S(=O)(=O)c1ccc(cc1)N=C=O
Properties
Complexity:
496
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.02g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
300.288g/mol
Monoisotopic Mass:
300.02g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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