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13753-49-6 | Naphthalene, 2,6-diisocyanato-
CAS No: 13753-49-6 Catalog No: AG0013I1 MDL No:
Product Description
Catalog Number:
AG0013I1
Chemical Name:
Naphthalene, 2,6-diisocyanato-
CAS Number:
13753-49-6
Molecular Formula:
C12H6N2O2
Molecular Weight:
210.1882
IUPAC Name:
2,6-diisocyanatonaphthalene
InChI:
InChI=1S/C12H6N2O2/c15-7-13-11-3-1-9-5-12(14-8-16)4-2-10(9)6-11/h1-6H
InChI Key:
FYSXOCIUZBBUNB-UHFFFAOYSA-N
SMILES:
O=C=Nc1ccc2c(c1)ccc(c2)N=C=O
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.043g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
210.192g/mol
Monoisotopic Mass:
210.043g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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