Home Nitros tert-butyl allyl(3,5-dinitrobenzyl)carbamate

tert-butyl allyl(3,5-dinitrobenzyl)carbamate

CAS No.:
2009210-29-9
Catalog Number:
AG01DFID
Molecular Formula:
C15H19N3O6
Molecular Weight:
337.3279
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Product Description
Catalog Number:
AG01DFID
Chemical Name:
tert-butyl allyl(3,5-dinitrobenzyl)carbamate
CAS Number:
2009210-29-9
Molecular Formula:
C15H19N3O6
Molecular Weight:
337.3279
MDL Number:
MFCD31555305
IUPAC Name:
tert-butyl N-[(3,5-dinitrophenyl)methyl]-N-prop-2-enylcarbamate
InChI:
InChI=1S/C15H19N3O6/c1-5-6-16(14(19)24-15(2,3)4)10-11-7-12(17(20)21)9-13(8-11)18(22)23/h5,7-9H,1,6,10H2,2-4H3
InChI Key:
OAIABNLBYRDLEZ-UHFFFAOYSA-N
SMILES:
C=CCN(C(=O)OC(C)(C)C)Cc1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
469  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
337.127g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
337.332g/mol
Monoisotopic Mass:
337.127g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties