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Home > Nitro Compounds > 828253-44-7
828253-44-7 | Carbamic acid, [methoxy(4-nitrophenyl)methyl]-, 1,1-dimethylethyl ester
CAS No: 828253-44-7 Catalog No: AG00568R MDL No:
Product Description
Catalog Number:
AG00568R
Chemical Name:
Carbamic acid, [methoxy(4-nitrophenyl)methyl]-, 1,1-dimethylethyl ester
CAS Number:
828253-44-7
Molecular Formula:
C13H18N2O5
Molecular Weight:
282.2924
IUPAC Name:
tert-butyl N-[methoxy-(4-nitrophenyl)methyl]carbamate
InChI:
InChI=1S/C13H18N2O5/c1-13(2,3)20-12(16)14-11(19-4)9-5-7-10(8-6-9)15(17)18/h5-8,11H,1-4H3,(H,14,16)
InChI Key:
OIZOFZIHPOENCI-UHFFFAOYSA-N
SMILES:
COC(c1ccc(cc1)[N+](=O)[O-])NC(=O)OC(C)(C)C
Properties
Complexity:
340
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.122g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
282.296g/mol
Monoisotopic Mass:
282.122g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
93.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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