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19071-12-6 | Naphthalene, 2,6-bis(1-isocyanato-1-methylethyl)-
CAS No: 19071-12-6 Catalog No: AG002ERG MDL No:
Product Description
Catalog Number:
AG002ERG
Chemical Name:
Naphthalene, 2,6-bis(1-isocyanato-1-methylethyl)-
CAS Number:
19071-12-6
Molecular Formula:
C18H18N2O2
Molecular Weight:
294.3477
IUPAC Name:
2,6-bis(2-isocyanatopropan-2-yl)naphthalene
InChI:
InChI=1S/C18H18N2O2/c1-17(2,19-11-21)15-7-5-14-10-16(8-6-13(14)9-15)18(3,4)20-12-22/h5-10H,1-4H3
InChI Key:
TWIXZNGKWCNJKT-UHFFFAOYSA-N
SMILES:
O=C=NC(c1ccc2c(c1)ccc(c2)C(N=C=O)(C)C)(C)C
Properties
Complexity:
453
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.137g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
294.354g/mol
Monoisotopic Mass:
294.137g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.8
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