Home Aldehydes 5-(Trifluoromethyl);thiophene-3-carbaldehyde

5-(Trifluoromethyl);thiophene-3-carbaldehyde

CAS No.:
96518-84-2
Catalog Number:
AG003M89
Molecular Formula:
C6H3F3OS
Molecular Weight:
180.1476
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Product Description
Catalog Number:
AG003M89
Chemical Name:
5-(Trifluoromethyl);thiophene-3-carbaldehyde
CAS Number:
96518-84-2
Molecular Formula:
C6H3F3OS
Molecular Weight:
180.1476
MDL Number:
MFCD18250230
IUPAC Name:
5-(trifluoromethyl)thiophene-3-carbaldehyde
InChI:
InChI=1S/C6H3F3OS/c7-6(8,9)5-1-4(2-10)3-11-5/h1-3H
InChI Key:
BBSMPLJHWLTFIH-UHFFFAOYSA-N
SMILES:
O=Cc1csc(c1)C(F)(F)F
Properties
Complexity:
156  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.986g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
180.144g/mol
Monoisotopic Mass:
179.986g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
45.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties