Home Halogens 3-(4-chlorophenyl)-4,4,4-trifluorobut-2-enoic acid

3-(4-chlorophenyl)-4,4,4-trifluorobut-2-enoic acid

CAS No.:
1394045-26-1
Catalog Number:
AG01A02W
Molecular Formula:
C10H6ClF3O2
Molecular Weight:
250.6016
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Product Description
Catalog Number:
AG01A02W
Chemical Name:
3-(4-chlorophenyl)-4,4,4-trifluorobut-2-enoic acid
CAS Number:
1394045-26-1
Molecular Formula:
C10H6ClF3O2
Molecular Weight:
250.6016
IUPAC Name:
3-(4-chlorophenyl)-4,4,4-trifluorobut-2-enoic acid
InChI:
InChI=1S/C10H6ClF3O2/c11-7-3-1-6(2-4-7)8(5-9(15)16)10(12,13)14/h1-5H,(H,15,16)
InChI Key:
JHJWVWGLEWGSKZ-UHFFFAOYSA-N
SMILES:
OC(=O)C=C(C(F)(F)F)c1ccc(cc1)Cl
Properties
Complexity:
291  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.001g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
250.601g/mol
Monoisotopic Mass:
250.001g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
3.6  
Properties