Home Other Building Blocks (2E)-3-[5-(trifluoromethyl)thiophen-3-yl]prop-2-enoic acid

(2E)-3-[5-(trifluoromethyl)thiophen-3-yl]prop-2-enoic acid

CAS No.:
2044946-97-4
Catalog Number:
AG01BVN5
Molecular Formula:
C8H5F3O2S
Molecular Weight:
222.1843
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Product Description
Catalog Number:
AG01BVN5
Chemical Name:
(2E)-3-[5-(trifluoromethyl)thiophen-3-yl]prop-2-enoic acid
CAS Number:
2044946-97-4
Molecular Formula:
C8H5F3O2S
Molecular Weight:
222.1843
MDL Number:
MFCD30476481
IUPAC Name:
3-[5-(trifluoromethyl)thiophen-3-yl]prop-2-enoic acid
InChI:
InChI=1S/C8H5F3O2S/c9-8(10,11)6-3-5(4-14-6)1-2-7(12)13/h1-4H,(H,12,13)
InChI Key:
ZZIQKZDAWFLAAP-UHFFFAOYSA-N
SMILES:
OC(=O)/C=C/c1csc(c1)C(F)(F)F
Properties
Complexity:
250  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.996g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
222.181g/mol
Monoisotopic Mass:
221.996g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
65.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
2.5  
Properties