Home Halogens 2,2,2-trifluoroethyl N-(4-chloro-2,5-dimethoxyphenyl)carbamate

2,2,2-trifluoroethyl N-(4-chloro-2,5-dimethoxyphenyl)carbamate

CAS No.:
1087797-86-1
Catalog Number:
AG019QRZ
Molecular Formula:
C11H11ClF3NO4
Molecular Weight:
313.6575
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Product Description
Catalog Number:
AG019QRZ
Chemical Name:
2,2,2-trifluoroethyl N-(4-chloro-2,5-dimethoxyphenyl)carbamate
CAS Number:
1087797-86-1
Molecular Formula:
C11H11ClF3NO4
Molecular Weight:
313.6575
MDL Number:
MFCD11099772
IUPAC Name:
2,2,2-trifluoroethyl N-(4-chloro-2,5-dimethoxyphenyl)carbamate
InChI:
InChI=1S/C11H11ClF3NO4/c1-18-8-4-7(9(19-2)3-6(8)12)16-10(17)20-5-11(13,14)15/h3-4H,5H2,1-2H3,(H,16,17)
InChI Key:
JNJFWFQEDVLYGV-UHFFFAOYSA-N
SMILES:
COc1cc(Cl)c(cc1NC(=O)OCC(F)(F)F)OC
Properties
Complexity:
329  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.033g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
313.657g/mol
Monoisotopic Mass:
313.033g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
56.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Properties