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147290-58-2 | Benzoic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-5-nitro-, methyl ester
CAS No: 147290-58-2 Catalog No: AG001ERP MDL No:MFCD09701223
Product Description
Catalog Number:
AG001ERP
Chemical Name:
Benzoic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-5-nitro-, methyl ester
CAS Number:
147290-58-2
Molecular Formula:
C13H16N2O6
Molecular Weight:
296.2759
MDL Number:
MFCD09701223
IUPAC Name:
methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-nitrobenzoate
InChI:
InChI=1S/C13H16N2O6/c1-13(2,3)21-12(17)14-10-6-5-8(15(18)19)7-9(10)11(16)20-4/h5-7H,1-4H3,(H,14,17)
InChI Key:
HNQHCRSHSQNNFP-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(ccc1NC(=O)OC(C)(C)C)[N+](=O)[O-]
Properties
Complexity:
412
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.101g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
296.279g/mol
Monoisotopic Mass:
296.101g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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