Home Other Building Blocks 2-(TRIFLUOROACETYL)PYRROLE

2-(TRIFLUOROACETYL)PYRROLE

CAS No.:
2557-70-2
Catalog Number:
AG00BC2Z
Molecular Formula:
C6H4F3NO
Molecular Weight:
163.0973
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Product Description
Catalog Number:
AG00BC2Z
Chemical Name:
2-(TRIFLUOROACETYL)PYRROLE
CAS Number:
2557-70-2
Molecular Formula:
C6H4F3NO
Molecular Weight:
163.0973
MDL Number:
MFCD00141809
IUPAC Name:
2,2,2-trifluoro-1-(1H-pyrrol-2-yl)ethanone
InChI:
InChI=1S/C6H4F3NO/c7-6(8,9)5(11)4-2-1-3-10-4/h1-3,10H
InChI Key:
UMVVPYXSJKIFST-UHFFFAOYSA-N
SMILES:
O=C(C(F)(F)F)c1ccc[nH]1
Properties
Complexity:
166  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.024g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
163.099g/mol
Monoisotopic Mass:
163.024g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
32.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties