Home Other Building Blocks methyl 3-(trifluoromethoxy)propanoate

methyl 3-(trifluoromethoxy)propanoate

CAS No.:
862374-86-5
Catalog Number:
AG01BA6Y
Molecular Formula:
C5H7F3O3
Molecular Weight:
172.1025
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Product Description
Catalog Number:
AG01BA6Y
Chemical Name:
methyl 3-(trifluoromethoxy)propanoate
CAS Number:
862374-86-5
Molecular Formula:
C5H7F3O3
Molecular Weight:
172.1025
MDL Number:
MFCD28397536
IUPAC Name:
methyl 3-(trifluoromethoxy)propanoate
InChI:
InChI=1S/C5H7F3O3/c1-10-4(9)2-3-11-5(6,7)8/h2-3H2,1H3
InChI Key:
YLRJDXIQQPRCNS-UHFFFAOYSA-N
SMILES:
COC(=O)CCOC(F)(F)F
Properties
Complexity:
131  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.035g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.103g/mol
Monoisotopic Mass:
172.035g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties