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58067-42-8 | Benzene, bis(1-isocyanato-1-methylethyl)-
CAS No: 58067-42-8 Catalog No: AG00116M MDL No:
Product Description
Catalog Number:
AG00116M
Chemical Name:
Benzene, bis(1-isocyanato-1-methylethyl)-
CAS Number:
58067-42-8
Molecular Formula:
C14H16N2O2
Molecular Weight:
244.2890
IUPAC Name:
1,2-bis(2-isocyanatopropan-2-yl)benzene
InChI:
InChI=1S/C14H16N2O2/c1-13(2,15-9-17)11-7-5-6-8-12(11)14(3,4)16-10-18/h5-8H,1-4H3
InChI Key:
NNOZGCICXAYKLW-UHFFFAOYSA-N
SMILES:
O=C=NC(c1ccccc1C(N=C=O)(C)C)(C)C
Properties
Complexity:
351
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.121g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
244.294g/mol
Monoisotopic Mass:
244.121g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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