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139513-41-0 | Anthracene, 9,10-diisocyano-
CAS No: 139513-41-0 Catalog No: AG001B63 MDL No:
Product Description
Catalog Number:
AG001B63
Chemical Name:
Anthracene, 9,10-diisocyano-
CAS Number:
139513-41-0
Molecular Formula:
C16H8N2
Molecular Weight:
228.2481
IUPAC Name:
9,10-diisocyanoanthracene
InChI:
InChI=1S/C16H8N2/c1-17-15-11-7-3-5-9-13(11)16(18-2)14-10-6-4-8-12(14)15/h3-10H
InChI Key:
WBFKYEJSQKXWLS-UHFFFAOYSA-N
SMILES:
[C-]#[N+]c1c2ccccc2c(c2c1cccc2)[N+]#[C-]
Properties
Complexity:
345
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.069g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.254g/mol
Monoisotopic Mass:
228.069g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
8.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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