Home Other Building Blocks tert-butyl N-[3-(trifluoromethoxy)phenyl]carbamate

tert-butyl N-[3-(trifluoromethoxy)phenyl]carbamate

CAS No.:
561304-42-5
Catalog Number:
AG01C1D7
Molecular Formula:
C12H14F3NO3
Molecular Weight:
277.2397
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Product Description
Catalog Number:
AG01C1D7
Chemical Name:
tert-butyl N-[3-(trifluoromethoxy)phenyl]carbamate
CAS Number:
561304-42-5
Molecular Formula:
C12H14F3NO3
Molecular Weight:
277.2397
MDL Number:
MFCD21170349
IUPAC Name:
tert-butyl N-[3-(trifluoromethoxy)phenyl]carbamate
InChI:
InChI=1S/C12H14F3NO3/c1-11(2,3)19-10(17)16-8-5-4-6-9(7-8)18-12(13,14)15/h4-7H,1-3H3,(H,16,17)
InChI Key:
SAQHODCHBIFMJB-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)Nc1cccc(c1)OC(F)(F)F
Properties
Complexity:
312  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.093g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
277.243g/mol
Monoisotopic Mass:
277.093g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1  
Properties