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1017778-72-1 | 3-Chloro-4-ethoxy-5-fluorobenzoic acid
CAS No: 1017778-72-1 Catalog No: AG01FCI3 MDL No:
Product Description
Catalog Number:
AG01FCI3
Chemical Name:
3-Chloro-4-ethoxy-5-fluorobenzoic acid
CAS Number:
1017778-72-1
Molecular Formula:
C9H8ClFO3
Molecular Weight:
218.6094
IUPAC Name:
3-chloro-4-ethoxy-5-fluorobenzoic acid
InChI:
InChI=1S/C9H8ClFO3/c1-2-14-8-6(10)3-5(9(12)13)4-7(8)11/h3-4H,2H2,1H3,(H,12,13)
InChI Key:
UZGWOMNUSFRIRW-UHFFFAOYSA-N
SMILES:
CCOc1c(F)cc(cc1Cl)C(=O)O
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.015g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
218.608g/mol
Monoisotopic Mass:
218.015g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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