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115570-56-4 | Benzene, 1,1'-[(2,2-dimethyl-1,3-propanediyl)bis(oxy)]bis[4-isocyanato-
CAS No: 115570-56-4 Catalog No: AG000G6N MDL No:
Product Description
Catalog Number:
AG000G6N
Chemical Name:
Benzene, 1,1'-[(2,2-dimethyl-1,3-propanediyl)bis(oxy)]bis[4-isocyanato-
CAS Number:
115570-56-4
Molecular Formula:
C19H18N2O4
Molecular Weight:
338.3572
IUPAC Name:
1-isocyanato-4-[3-(4-isocyanatophenoxy)-2,2-dimethylpropoxy]benzene
InChI:
InChI=1S/C19H18N2O4/c1-19(2,11-24-17-7-3-15(4-8-17)20-13-22)12-25-18-9-5-16(6-10-18)21-14-23/h3-10H,11-12H2,1-2H3
InChI Key:
CNHZUTVUURRXLL-UHFFFAOYSA-N
SMILES:
O=C=Nc1ccc(cc1)OCC(COc1ccc(cc1)N=C=O)(C)C
Properties
Complexity:
450
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.127g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
338.363g/mol
Monoisotopic Mass:
338.127g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
77.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.3
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