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Home > Nitro Compounds > 1588441-20-6
1588441-20-6 | Carbamic acid, N-(2-methyl-3,5-dinitrophenyl)-, 1,1-dimethylethyl ester
CAS No: 1588441-20-6 Catalog No: AG001QXN MDL No:MFCD26383917
Product Description
Catalog Number:
AG001QXN
Chemical Name:
Carbamic acid, N-(2-methyl-3,5-dinitrophenyl)-, 1,1-dimethylethyl ester
CAS Number:
1588441-20-6
Molecular Formula:
C12H15N3O6
Molecular Weight:
297.2640
MDL Number:
MFCD26383917
IUPAC Name:
tert-butyl N-(2-methyl-3,5-dinitrophenyl)carbamate
InChI:
InChI=1S/C12H15N3O6/c1-7-9(13-11(16)21-12(2,3)4)5-8(14(17)18)6-10(7)15(19)20/h5-6H,1-4H3,(H,13,16)
InChI Key:
YNDRBUAYGVFYTM-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)Nc1cc(cc(c1C)[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
422
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.096g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
297.267g/mol
Monoisotopic Mass:
297.096g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
130A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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