Home Other Building Blocks 4,4,4-trifluoro-3-phenylbut-2-enoic acid

4,4,4-trifluoro-3-phenylbut-2-enoic acid

CAS No.:
90724-28-0
Catalog Number:
AG01A9ZJ
Molecular Formula:
C10H7F3O2
Molecular Weight:
216.1566
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Product Description
Catalog Number:
AG01A9ZJ
Chemical Name:
4,4,4-trifluoro-3-phenylbut-2-enoic acid
CAS Number:
90724-28-0
Molecular Formula:
C10H7F3O2
Molecular Weight:
216.1566
MDL Number:
MFCD01469348
IUPAC Name:
4,4,4-trifluoro-3-phenylbut-2-enoic acid
InChI:
InChI=1S/C10H7F3O2/c11-10(12,13)8(6-9(14)15)7-4-2-1-3-5-7/h1-6H,(H,14,15)
InChI Key:
IZLDRXUDBMVNKB-UHFFFAOYSA-N
SMILES:
OC(=O)C=C(C(F)(F)F)c1ccccc1
Properties
Complexity:
262  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.04g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
216.159g/mol
Monoisotopic Mass:
216.04g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
3  
Properties