Home Other Building Blocks 2-METHYL-2-(TRIFLUOROMETHYL)BUTANOIC ACID

2-METHYL-2-(TRIFLUOROMETHYL)BUTANOIC ACID

CAS No.:
1365969-07-8
Catalog Number:
AG01DKSO
Molecular Formula:
C6H9F3O2
Molecular Weight:
170.1297
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Product Description
Catalog Number:
AG01DKSO
Chemical Name:
2-METHYL-2-(TRIFLUOROMETHYL)BUTANOIC ACID
CAS Number:
1365969-07-8
Molecular Formula:
C6H9F3O2
Molecular Weight:
170.1297
IUPAC Name:
2-methyl-2-(trifluoromethyl)butanoic acid
InChI:
InChI=1S/C6H9F3O2/c1-3-5(2,4(10)11)6(7,8)9/h3H2,1-2H3,(H,10,11)
InChI Key:
OGQSDUJEHJTRDA-UHFFFAOYSA-N
SMILES:
CCC(C(F)(F)F)(C(=O)O)C
Properties
Complexity:
164  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.055g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
170.131g/mol
Monoisotopic Mass:
170.055g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties