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719-61-9 | benzene, 1,4-diisocyanato-2,3,5,6-tetramethyl-
CAS No: 719-61-9 Catalog No: AG005EDY MDL No:
Product Description
Catalog Number:
AG005EDY
Chemical Name:
benzene, 1,4-diisocyanato-2,3,5,6-tetramethyl-
CAS Number:
719-61-9
Molecular Formula:
C12H12N2O2
Molecular Weight:
216.2359
IUPAC Name:
1,4-diisocyanato-2,3,5,6-tetramethylbenzene
InChI:
InChI=1S/C12H12N2O2/c1-7-8(2)12(14-6-16)10(4)9(3)11(7)13-5-15/h1-4H3
InChI Key:
LGLNTUFPPXPHKF-UHFFFAOYSA-N
SMILES:
O=C=Nc1c(C)c(C)c(c(c1C)C)N=C=O
NSC Number:
68339
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.09g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.24g/mol
Monoisotopic Mass:
216.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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