AC1Q6BMH

1,3-dioxo-2-benzofuran-5-carboxylic acid;1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene

Also Known As: KST-1B8567|Trimellitic anhydride, methylenebis(phenylisocyanate) polymer|(C15-H10-N2-O2.C9-H4-O5)x-|p,p'-Diphenylmethane diisocyanate, trimellitic anhydride polymer|1,3-dioxo-1,3-dihydro-2-benzofuran-5-carboxylic acid- 1,1'-methanediylbis(4-isocyanatobenzene)(1:1)|5-Isobenzofurancarboxylic acid, 1,3-dihydro-1,3-dioxo-, polymer with 1,1'-methylenebis[4-isocyanatobenzene]|1,3-Dioxo-1,3-dihydro-2-benzofuran-5-carboxylic acid--1,1'-methylenebis(4-isocyanatobenzene) (1/1)|5-Isobenzofurancarboxylic acid, 1,3-dihydro-1,3-dioxo-, polymer with 1,1'-methylenebis(4-isocyanatobenzene)|POLY(METHYLENEDI-P-PHENYLENE ISOCYANATE- CO-TRIMELLITIC ANHYDRIDE)|POLY(METHYLENEDI-P-PHENYLENE ISOCYANATE-CO-TRIMELLITIC ANHYDRIDE)|1,3-dioxo-2-benzofuran-5-carboxylic acid; 1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene|1,3-dioxoisobenzofuran-5-carboxylic acid; 1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene

Molecular Formula	C24H14N2O7
Molecular Weight	442.0801 g/mol
LogP	3.9074
Topological Polar Surface Area	140.0 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	9
Rotatable Bonds	5
Exact Mass	442.0801
Monoisotopic Mass	442.0801
Heavy Atoms	33
Complexity	640.0

Chemical Identifiers

CAS Number	67167-62-8
SMILES	C1=CC(=CC=C1CC2=CC=C(C=C2)N=C=O)N=C=O.C1=CC2=C(C=C1C(=O)O)C(=O)OC2=O
InChIKey	ZBIMDPUULDFXSQ-UHFFFAOYSA-N