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743467-22-3 | 6-bromo-3-ethoxy-2-fluorobenzoic acid
CAS No: 743467-22-3 Catalog No: AG01ELGW MDL No:MFCD31438826
Product Description
Catalog Number:
AG01ELGW
Chemical Name:
6-bromo-3-ethoxy-2-fluorobenzoic acid
CAS Number:
743467-22-3
Molecular Formula:
C9H8BrFO3
Molecular Weight:
263.0604
MDL Number:
MFCD31438826
IUPAC Name:
6-bromo-3-ethoxy-2-fluorobenzoic acid
InChI:
InChI=1S/C9H8BrFO3/c1-2-14-6-4-3-5(10)7(8(6)11)9(12)13/h3-4H,2H2,1H3,(H,12,13)
InChI Key:
AMTAVRYIRXKBQJ-UHFFFAOYSA-N
SMILES:
CCOc1ccc(c(c1F)C(=O)O)Br
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.964g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
263.062g/mol
Monoisotopic Mass:
261.964g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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