Home Halogens methyl 2-bromo-3-[4-(trifluoromethyl)phenyl]propanoate

methyl 2-bromo-3-[4-(trifluoromethyl)phenyl]propanoate

CAS No.:
1260761-44-1
Catalog Number:
AG01A6BW
Molecular Formula:
C11H10BrF3O2
Molecular Weight:
311.0951
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Product Description
Catalog Number:
AG01A6BW
Chemical Name:
methyl 2-bromo-3-[4-(trifluoromethyl)phenyl]propanoate
CAS Number:
1260761-44-1
Molecular Formula:
C11H10BrF3O2
Molecular Weight:
311.0951
MDL Number:
MFCD12911446
IUPAC Name:
methyl 2-bromo-3-[4-(trifluoromethyl)phenyl]propanoate
InChI:
InChI=1S/C11H10BrF3O2/c1-17-10(16)9(12)6-7-2-4-8(5-3-7)11(13,14)15/h2-5,9H,6H2,1H3
InChI Key:
LZMQOEJHOIFBEV-UHFFFAOYSA-N
SMILES:
COC(=O)C(Cc1ccc(cc1)C(F)(F)F)Br
Properties
Complexity:
260  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.982g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
311.098g/mol
Monoisotopic Mass:
309.982g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8  
Properties