Home Other Building Blocks 2-fluoro-3-[4-fluoro-3-(trifluoromethyl)phenyl]prop-2-enoic acid

2-fluoro-3-[4-fluoro-3-(trifluoromethyl)phenyl]prop-2-enoic acid

CAS No.:
1564157-26-1
Catalog Number:
AG01BTCE
Molecular Formula:
C10H5F5O2
Molecular Weight:
252.1375
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Product Description
Catalog Number:
AG01BTCE
Chemical Name:
2-fluoro-3-[4-fluoro-3-(trifluoromethyl)phenyl]prop-2-enoic acid
CAS Number:
1564157-26-1
Molecular Formula:
C10H5F5O2
Molecular Weight:
252.1375
MDL Number:
MFCD25239372
IUPAC Name:
2-fluoro-3-[4-fluoro-3-(trifluoromethyl)phenyl]prop-2-enoic acid
InChI:
InChI=1S/C10H5F5O2/c11-7-2-1-5(4-8(12)9(16)17)3-6(7)10(13,14)15/h1-4H,(H,16,17)
InChI Key:
LAMSHLIGIFXYJZ-UHFFFAOYSA-N
SMILES:
OC(=O)C(=Cc1ccc(c(c1)C(F)(F)F)F)F
Properties
Complexity:
323  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.021g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
252.14g/mol
Monoisotopic Mass:
252.021g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
3.2  
Properties