Home Halogens methyl 4-(4-bromo-2-fluorophenoxy)butanoate

methyl 4-(4-bromo-2-fluorophenoxy)butanoate

CAS No.:
1096852-55-9
Catalog Number:
AG01ACIH
Molecular Formula:
C11H12BrFO3
Molecular Weight:
291.1136
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Product Description
Catalog Number:
AG01ACIH
Chemical Name:
methyl 4-(4-bromo-2-fluorophenoxy)butanoate
CAS Number:
1096852-55-9
Molecular Formula:
C11H12BrFO3
Molecular Weight:
291.1136
MDL Number:
MFCD12168414
IUPAC Name:
methyl 4-(4-bromo-2-fluorophenoxy)butanoate
InChI:
InChI=1S/C11H12BrFO3/c1-15-11(14)3-2-6-16-10-5-4-8(12)7-9(10)13/h4-5,7H,2-3,6H2,1H3
InChI Key:
QZJFQHBBSKMCFF-UHFFFAOYSA-N
SMILES:
COC(=O)CCCOc1ccc(cc1F)Br
Properties
Complexity:
225  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.995g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
291.116g/mol
Monoisotopic Mass:
289.995g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties