Home Nitros Carbamic acid, N-(4-fluoro-2-methoxy-5-nitrophenyl)-, 1,1-dimethylethyl ester

Carbamic acid, N-(4-fluoro-2-methoxy-5-nitrophenyl)-, 1,1-dimethylethyl ester

CAS No.:
1802924-13-5
Catalog Number:
AG00IM7M
Molecular Formula:
C12H15FN2O5
Molecular Weight:
286.2563
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Product Description
Catalog Number:
AG00IM7M
Chemical Name:
Carbamic acid, N-(4-fluoro-2-methoxy-5-nitrophenyl)-, 1,1-dimethylethyl ester
CAS Number:
1802924-13-5
Molecular Formula:
C12H15FN2O5
Molecular Weight:
286.2563
MDL Number:
MFCD31567529
IUPAC Name:
tert-butyl N-(4-fluoro-2-methoxy-5-nitrophenyl)carbamate
InChI:
InChI=1S/C12H15FN2O5/c1-12(2,3)20-11(16)14-8-6-9(15(17)18)7(13)5-10(8)19-4/h5-6H,1-4H3,(H,14,16)
InChI Key:
KPUXYKMAEDAWET-UHFFFAOYSA-N
SMILES:
COc1cc(F)c(cc1NC(=O)OC(C)(C)C)[N+](=O)[O-]
Properties
Complexity:
366  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.096g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
286.259g/mol
Monoisotopic Mass:
286.096g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
93.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties