Home Nitros Carbamic acid, [2-(4-nitrophenoxy)ethyl]-, 1,1-dimethylethyl ester

Carbamic acid, [2-(4-nitrophenoxy)ethyl]-, 1,1-dimethylethyl ester

CAS No.:
159184-14-2
Catalog Number:
AG00HYIR
Molecular Formula:
C13H18N2O5
Molecular Weight:
282.2924
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Product Description
Catalog Number:
AG00HYIR
Chemical Name:
Carbamic acid, [2-(4-nitrophenoxy)ethyl]-, 1,1-dimethylethyl ester
CAS Number:
159184-14-2
Molecular Formula:
C13H18N2O5
Molecular Weight:
282.2924
MDL Number:
MFCD26743665
IUPAC Name:
tert-butyl N-[2-(4-nitrophenoxy)ethyl]carbamate
InChI:
InChI=1S/C13H18N2O5/c1-13(2,3)20-12(16)14-8-9-19-11-6-4-10(5-7-11)15(17)18/h4-7H,8-9H2,1-3H3,(H,14,16)
InChI Key:
LDOYKECYRDLCDM-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NCCOc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
327  
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:
6  
Topological Polar Surface Area:
93.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties