Home Other Building Blocks methyl 4-[3-(trifluoromethyl)phenyl]butanoate

methyl 4-[3-(trifluoromethyl)phenyl]butanoate

CAS No.:
191155-77-8
Catalog Number:
AG01A6QI
Molecular Formula:
C12H13F3O2
Molecular Weight:
246.2256
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Product Description
Catalog Number:
AG01A6QI
Chemical Name:
methyl 4-[3-(trifluoromethyl)phenyl]butanoate
CAS Number:
191155-77-8
Molecular Formula:
C12H13F3O2
Molecular Weight:
246.2256
MDL Number:
MFCD26935966
IUPAC Name:
methyl 4-[3-(trifluoromethyl)phenyl]butanoate
InChI:
InChI=1S/C12H13F3O2/c1-17-11(16)7-3-5-9-4-2-6-10(8-9)12(13,14)15/h2,4,6,8H,3,5,7H2,1H3
InChI Key:
VCWCYVHMDVVIGK-UHFFFAOYSA-N
SMILES:
COC(=O)CCCc1cccc(c1)C(F)(F)F
Properties
Complexity:
251  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.087g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.229g/mol
Monoisotopic Mass:
246.087g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7  
Properties