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Home > Bromides > 1228376-44-0
1228376-44-0 | Ethyl 4-bromo-2-chloro-5-fluorobenzoate
CAS No: 1228376-44-0 Catalog No: AG01FC8L MDL No:
Product Description
Catalog Number:
AG01FC8L
Chemical Name:
Ethyl 4-bromo-2-chloro-5-fluorobenzoate
CAS Number:
1228376-44-0
Molecular Formula:
C9H7BrClFO2
Molecular Weight:
281.5061
IUPAC Name:
ethyl 4-bromo-2-chloro-5-fluorobenzoate
InChI:
InChI=1S/C9H7BrClFO2/c1-2-14-9(13)5-3-8(12)6(10)4-7(5)11/h3-4H,2H2,1H3
InChI Key:
ARCBMMVXJYQHTQ-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc(F)c(cc1Cl)Br
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.93g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
281.505g/mol
Monoisotopic Mass:
279.93g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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