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16832-64-7 | Benzene, 1-isocyanato-4-[(4-isocyanatophenyl)methyl]-2-methoxy-
CAS No: 16832-64-7 Catalog No: AG001Y0K MDL No:
Product Description
Catalog Number:
AG001Y0K
Chemical Name:
Benzene, 1-isocyanato-4-[(4-isocyanatophenyl)methyl]-2-methoxy-
CAS Number:
16832-64-7
Molecular Formula:
C16H12N2O3
Molecular Weight:
280.2781
IUPAC Name:
1-isocyanato-4-[(4-isocyanatophenyl)methyl]-2-methoxybenzene
InChI:
InChI=1S/C16H12N2O3/c1-21-16-9-13(4-7-15(16)18-11-20)8-12-2-5-14(6-3-12)17-10-19/h2-7,9H,8H2,1H3
InChI Key:
QNPZPOKHLWDFBW-UHFFFAOYSA-N
SMILES:
O=C=Nc1ccc(cc1)Cc1ccc(c(c1)OC)N=C=O
Properties
Complexity:
419
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.085g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
280.283g/mol
Monoisotopic Mass:
280.085g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
68.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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