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77227-98-6 | Benzoic acid, 2-chloro-5-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]-
CAS No: 77227-98-6 Catalog No: AG005D5C MDL No:
Product Description
Catalog Number:
AG005D5C
Chemical Name:
Benzoic acid, 2-chloro-5-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]-
CAS Number:
77227-98-6
Molecular Formula:
C14H6Cl2F4O3
Molecular Weight:
369.0953
IUPAC Name:
2-chloro-5-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]benzoic acid
InChI:
InChI=1S/C14H6Cl2F4O3/c15-9-2-1-7(5-8(9)13(21)22)23-12-10(16)3-6(4-11(12)17)14(18,19)20/h1-5H,(H,21,22)
InChI Key:
BGRDERRVYOXFQM-UHFFFAOYSA-N
SMILES:
Fc1cc(cc(c1Oc1ccc(c(c1)C(=O)O)Cl)Cl)C(F)(F)F
Properties
Complexity:
435
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
367.963g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
369.093g/mol
Monoisotopic Mass:
367.963g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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