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1009-13-8 | Benzene, 1,4-diisocyano-2,5-dimethyl-
CAS No: 1009-13-8 Catalog No: AG00034Y MDL No:
Product Description
Catalog Number:
AG00034Y
Chemical Name:
Benzene, 1,4-diisocyano-2,5-dimethyl-
CAS Number:
1009-13-8
Molecular Formula:
C10H8N2
Molecular Weight:
156.1839
IUPAC Name:
1,4-diisocyano-2,5-dimethylbenzene
InChI:
InChI=1S/C10H8N2/c1-7-5-10(12-4)8(2)6-9(7)11-3/h5-6H,1-2H3
InChI Key:
SDQKKARBNKSZQR-UHFFFAOYSA-N
SMILES:
Cc1cc([N+]#[C-])c(cc1[N+]#[C-])C
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.069g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
156.188g/mol
Monoisotopic Mass:
156.069g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
8.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
Literature
| Title | Journal |
|---|---|
| Stepwise formation of quasi-octahedral macrocyclic complexes of rhodium(III) and iridium(III) bearing a pentamethylcyclopentadienyl group. | Chemistry (Weinheim an der Bergstrasse, Germany) 20020118 |
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