Name: Name:4'-ISOCYANATO-5'-NITROBENZO-15-CROWN-5
Brand: Angene
SKU: AG00G9EB
Rating: 90 (10 reviews)

4'-ISOCYANATO-5'-NITROBENZO-15-CROWN-5

CAS No.:

83935-64-2

Catalog Number:

AG00G9EB

Molecular Formula:

Molecular Weight:

Catalog Number:

AG00G9EB

Chemical Name:

4'-ISOCYANATO-5'-NITROBENZO-15-CROWN-5

CAS Number:

83935-64-2

MDL Number:

MFCD00067030

IUPAC Name:

17-isocyanato-18-nitro-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-triene

InChI:

InChI=1S/C15H18N2O8/c18-11-16-12-9-14-15(10-13(12)17(19)20)25-8-6-23-4-2-21-1-3-22-5-7-24-14/h9-10H,1-8H2

InChI Key:

JJEGVPFBHOQNKE-UHFFFAOYSA-N

Complexity:

451

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

354.106g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

354.315g/mol

Monoisotopic Mass:

354.106g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

121A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.8