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1228689-75-5 | (3-Bromo-4-fluorophenyl)acetic acid ethyl ester
CAS No: 1228689-75-5 Catalog No: AG01ER46 MDL No:
Product Description
Catalog Number:
AG01ER46
Chemical Name:
(3-Bromo-4-fluorophenyl)acetic acid ethyl ester
CAS Number:
1228689-75-5
Molecular Formula:
C10H10BrFO2
Molecular Weight:
261.0876
IUPAC Name:
ethyl 2-(3-bromo-4-fluorophenyl)acetate
InChI:
InChI=1S/C10H10BrFO2/c1-2-14-10(13)6-7-3-4-9(12)8(11)5-7/h3-5H,2,6H2,1H3
InChI Key:
KIWNXKVMDNGRLS-UHFFFAOYSA-N
SMILES:
CCOC(=O)Cc1ccc(c(c1)Br)F
Properties
Complexity:
199
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.985g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
261.09g/mol
Monoisotopic Mass:
259.985g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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