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1706435-00-8 | 3-Butoxy-6-chloro-2-fluorobenzoic acid
CAS No: 1706435-00-8 Catalog No: AG01FGNO MDL No:
Product Description
Catalog Number:
AG01FGNO
Chemical Name:
3-Butoxy-6-chloro-2-fluorobenzoic acid
CAS Number:
1706435-00-8
IUPAC Name:
3-butoxy-6-chloro-2-fluorobenzoic acid
InChI:
InChI=1S/C11H12ClFO3/c1-2-3-6-16-8-5-4-7(12)9(10(8)13)11(14)15/h4-5H,2-3,6H2,1H3,(H,14,15)
InChI Key:
IUJZHXBCABCUOU-UHFFFAOYSA-N
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.046g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
246.662g/mol
Monoisotopic Mass:
246.046g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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