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Home > Nitro Compounds > 309263-16-9
309263-16-9 | Imidodicarbonic acid, 2-(7-nitro-1-isoquinolinyl)-, 1,3-bis(1,1-dimethylethyl) ester
CAS No: 309263-16-9 Catalog No: AG0031OI MDL No:
Product Description
Catalog Number:
AG0031OI
Chemical Name:
Imidodicarbonic acid, 2-(7-nitro-1-isoquinolinyl)-, 1,3-bis(1,1-dimethylethyl) ester
CAS Number:
309263-16-9
Molecular Formula:
C19H23N3O6
Molecular Weight:
389.4024
IUPAC Name:
tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(7-nitroisoquinolin-1-yl)carbamate
InChI:
InChI=1S/C19H23N3O6/c1-18(2,3)27-16(23)21(17(24)28-19(4,5)6)15-14-11-13(22(25)26)8-7-12(14)9-10-20-15/h7-11H,1-6H3
InChI Key:
UURLGVIZSGQVRA-UHFFFAOYSA-N
SMILES:
O=C(N(c1nccc2c1cc(cc2)[N+](=O)[O-])C(=O)OC(C)(C)C)OC(C)(C)C
Properties
Complexity:
576
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
389.159g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
389.408g/mol
Monoisotopic Mass:
389.159g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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