Home Halogens 2,2,2-trifluoroethyl N-(3-bromophenyl)carbamate

2,2,2-trifluoroethyl N-(3-bromophenyl)carbamate

CAS No.:
1087797-98-5
Catalog Number:
AG019QSN
Molecular Formula:
C9H7BrF3NO2
Molecular Weight:
298.0566
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Product Description
Catalog Number:
AG019QSN
Chemical Name:
2,2,2-trifluoroethyl N-(3-bromophenyl)carbamate
CAS Number:
1087797-98-5
Molecular Formula:
C9H7BrF3NO2
Molecular Weight:
298.0566
MDL Number:
MFCD01013360
IUPAC Name:
2,2,2-trifluoroethyl N-(3-bromophenyl)carbamate
InChI:
InChI=1S/C9H7BrF3NO2/c10-6-2-1-3-7(4-6)14-8(15)16-5-9(11,12)13/h1-4H,5H2,(H,14,15)
InChI Key:
FDTBGHDNTIZVBX-UHFFFAOYSA-N
SMILES:
O=C(Nc1cccc(c1)Br)OCC(F)(F)F
Properties
Complexity:
247  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.961g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
298.059g/mol
Monoisotopic Mass:
296.961g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9  
Properties