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Home > Nitro Compounds > 155301-81-8
155301-81-8 | Carbamic acid, [2-(2-nitrophenyl)-2-oxoethyl]-, 1,1-dimethylethyl ester (9CI)
CAS No: 155301-81-8 Catalog No: AG001NST MDL No:MFCD11506031
Product Description
Catalog Number:
AG001NST
Chemical Name:
Carbamic acid, [2-(2-nitrophenyl)-2-oxoethyl]-, 1,1-dimethylethyl ester (9CI)
CAS Number:
155301-81-8
Molecular Formula:
C13H16N2O5
Molecular Weight:
280.2765
MDL Number:
MFCD11506031
IUPAC Name:
tert-butyl N-[2-(2-nitrophenyl)-2-oxoethyl]carbamate
InChI:
InChI=1S/C13H16N2O5/c1-13(2,3)20-12(17)14-8-11(16)9-6-4-5-7-10(9)15(18)19/h4-7H,8H2,1-3H3,(H,14,17)
InChI Key:
WCTOXZGDPMJWSP-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NCC(=O)c1ccccc1[N+](=O)[O-]
Properties
Complexity:
383
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.106g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
280.28g/mol
Monoisotopic Mass:
280.106g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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