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

2,2,2-trifluoroethyl N-(pyridin-4-ylmethyl)carbamate

CAS No.:
1240526-53-7
Catalog Number:
AG01A97B
Molecular Formula:
C9H9F3N2O2
Molecular Weight:
234.1752
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Product Description
Catalog Number:
AG01A97B
Chemical Name:
2,2,2-trifluoroethyl N-(pyridin-4-ylmethyl)carbamate
CAS Number:
1240526-53-7
Molecular Formula:
C9H9F3N2O2
Molecular Weight:
234.1752
MDL Number:
MFCD16622043
IUPAC Name:
2,2,2-trifluoroethyl N-(pyridin-4-ylmethyl)carbamate
InChI:
InChI=1S/C9H9F3N2O2/c10-9(11,12)6-16-8(15)14-5-7-1-3-13-4-2-7/h1-4H,5-6H2,(H,14,15)
InChI Key:
VRLOMDHWKMAMLS-UHFFFAOYSA-N
SMILES:
O=C(OCC(F)(F)F)NCc1ccncc1
Properties
Complexity:
227  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.062g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
234.178g/mol
Monoisotopic Mass:
234.062g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
51.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties