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Home Other Building Blocks 3,4,5-TRIFLUOROMANDELIC ACID

3,4,5-TRIFLUOROMANDELIC ACID

CAS No.:
1214323-60-0
Catalog Number:
AG01DYID
Molecular Formula:
C8H5F3O3
Molecular Weight:
206.1187
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Product Description
Catalog Number:
AG01DYID
Chemical Name:
3,4,5-TRIFLUOROMANDELIC ACID
CAS Number:
1214323-60-0
Molecular Formula:
C8H5F3O3
Molecular Weight:
206.1187
MDL Number:
MFCD13194471
IUPAC Name:
2-hydroxy-2-(3,4,5-trifluorophenyl)acetic acid
InChI:
InChI=1S/C8H5F3O3/c9-4-1-3(7(12)8(13)14)2-5(10)6(4)11/h1-2,7,12H,(H,13,14)
InChI Key:
IKLGRHFMGVKLEN-UHFFFAOYSA-N
SMILES:
OC(c1cc(F)c(c(c1)F)F)C(=O)O
Properties
Complexity:
212  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.019g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
206.12g/mol
Monoisotopic Mass:
206.019g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties