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Home > Bromides > 1160574-71-9
1160574-71-9 | Benzoic acid, 3-bromo-4-chloro-5-fluoro-, ethyl ester
CAS No: 1160574-71-9 Catalog No: AG000BIH MDL No:MFCD11846090
Product Description
Catalog Number:
AG000BIH
Chemical Name:
Benzoic acid, 3-bromo-4-chloro-5-fluoro-, ethyl ester
CAS Number:
1160574-71-9
Molecular Formula:
C9H7BrClFO2
Molecular Weight:
281.5061
MDL Number:
MFCD11846090
IUPAC Name:
ethyl 3-bromo-4-chloro-5-fluorobenzoate
InChI:
InChI=1S/C9H7BrClFO2/c1-2-14-9(13)5-3-6(10)8(11)7(12)4-5/h3-4H,2H2,1H3
InChI Key:
XQZWZWQSUQARKU-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc(F)c(c(c1)Br)Cl
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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