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Home Other Building Blocks 2,2,2-trifluoroethyl N-(4-methoxyphenyl)carbamate

2,2,2-trifluoroethyl N-(4-methoxyphenyl)carbamate

CAS No.:
537-80-4
Catalog Number:
AG019KFV
Molecular Formula:
C10H10F3NO3
Molecular Weight:
249.1865
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Product Description
Catalog Number:
AG019KFV
Chemical Name:
2,2,2-trifluoroethyl N-(4-methoxyphenyl)carbamate
CAS Number:
537-80-4
Molecular Formula:
C10H10F3NO3
Molecular Weight:
249.1865
MDL Number:
MFCD02045788
IUPAC Name:
2,2,2-trifluoroethyl N-(4-methoxyphenyl)carbamate
InChI:
InChI=1S/C10H10F3NO3/c1-16-8-4-2-7(3-5-8)14-9(15)17-6-10(11,12)13/h2-5H,6H2,1H3,(H,14,15)
InChI Key:
BBLOSRZQMXTDJI-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)NC(=O)OCC(F)(F)F
Properties
Complexity:
250  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.061g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
249.189g/mol
Monoisotopic Mass:
249.061g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties