200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 68298-31-7
68298-31-7 | bis(2,6-dimethyl-4-nitrosophenyl)[(2,4-dioxo-1,3-diazetidine-1,3-diyl)bis(6-methylbenzene-3,1-diyl)]biscarbamate
CAS No: 68298-31-7 Catalog No: AG005KVM MDL No:
Product Description
Catalog Number:
AG005KVM
Chemical Name:
bis(2,6-dimethyl-4-nitrosophenyl)[(2,4-dioxo-1,3-diazetidine-1,3-diyl)bis(6-methylbenzene-3,1-diyl)]biscarbamate
CAS Number:
68298-31-7
Molecular Formula:
C34H28N6O8--
Molecular Weight:
648.6215
IUPAC Name:
bis(9,10-dibromooctadecyl) hydrogen phosphate
InChI:
InChI=1S/C36H71Br4O4P/c1-3-5-7-9-15-21-27-33(37)35(39)29-23-17-11-13-19-25-31-43-45(41,42)44-32-26-20-14-12-18-24-30-36(40)34(38)28-22-16-10-8-6-4-2/h33-36H,3-32H2,1-2H3,(H,41,42)
InChI Key:
GDKGEORXADBULN-UHFFFAOYSA-N
SMILES:
O=Nc1cc(C)c(c(c1)C)N(c1cc(ccc1C)N1C(=O)N(C1=O)c1ccc(c(c1)N(c1c(C)cc(cc1C)N=O)C(=O)[O-])C)C(=O)[O-]
EC Number:
269-555-6
Properties
Complexity:
611
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
918.178g/mol
Formal Charge:
0
Heavy Atom Count:
45
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
918.55g/mol
Monoisotopic Mass:
914.182g/mol
Rotatable Bond Count:
36
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
16.3
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.