Home Other Building Blocks 4-(1,1,1-trifluoropropan-2-yl)benzoic acid

4-(1,1,1-trifluoropropan-2-yl)benzoic acid

CAS No.:
1147531-37-0
Catalog Number:
AG01A447
Molecular Formula:
C10H9F3O2
Molecular Weight:
218.1725
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Product Description
Catalog Number:
AG01A447
Chemical Name:
4-(1,1,1-trifluoropropan-2-yl)benzoic acid
CAS Number:
1147531-37-0
Molecular Formula:
C10H9F3O2
Molecular Weight:
218.1725
MDL Number:
MFCD24499410
IUPAC Name:
4-(1,1,1-trifluoropropan-2-yl)benzoic acid
InChI:
InChI=1S/C10H9F3O2/c1-6(10(11,12)13)7-2-4-8(5-3-7)9(14)15/h2-6H,1H3,(H,14,15)
InChI Key:
VJWMJAUGDCNVTQ-UHFFFAOYSA-N
SMILES:
CC(C(F)(F)F)c1ccc(cc1)C(=O)O
Properties
Complexity:
229  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.055g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
218.175g/mol
Monoisotopic Mass:
218.055g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
4  
Properties