Home Halogens methyl 2-bromo-2-(3-bromo-4-fluorophenyl)acetate

methyl 2-bromo-2-(3-bromo-4-fluorophenyl)acetate

CAS No.:
1566900-03-5
Catalog Number:
AG01DVP3
Molecular Formula:
C9H7Br2FO2
Molecular Weight:
325.9571
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Product Description
Catalog Number:
AG01DVP3
Chemical Name:
methyl 2-bromo-2-(3-bromo-4-fluorophenyl)acetate
CAS Number:
1566900-03-5
Molecular Formula:
C9H7Br2FO2
Molecular Weight:
325.9571
MDL Number:
MFCD26913024
IUPAC Name:
methyl 2-bromo-2-(3-bromo-4-fluorophenyl)acetate
InChI:
InChI=1S/C9H7Br2FO2/c1-14-9(13)8(11)5-2-3-7(12)6(10)4-5/h2-4,8H,1H3
InChI Key:
JDZXEBKAUYNVQO-UHFFFAOYSA-N
SMILES:
COC(=O)C(c1ccc(c(c1)Br)F)Br
Properties
Complexity:
213  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
325.878g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
325.959g/mol
Monoisotopic Mass:
323.88g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  
Properties