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17431-95-7 | Butanoic acid, 2-(3-chlorophenoxy)-
CAS No: 17431-95-7 Catalog No: AG001ZLK MDL No:MFCD02295733
Product Description
Catalog Number:
AG001ZLK
Chemical Name:
Butanoic acid, 2-(3-chlorophenoxy)-
CAS Number:
17431-95-7
Molecular Formula:
C10H11ClO3
Molecular Weight:
214.6455
MDL Number:
MFCD02295733
IUPAC Name:
2-(3-chlorophenoxy)butanoic acid
InChI:
InChI=1S/C10H11ClO3/c1-2-9(10(12)13)14-8-5-3-4-7(11)6-8/h3-6,9H,2H2,1H3,(H,12,13)
InChI Key:
LTNOFNYWTSJBRJ-UHFFFAOYSA-N
SMILES:
CCC(C(=O)O)Oc1cccc(c1)Cl
Properties
Complexity:
196
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.04g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
214.645g/mol
Monoisotopic Mass:
214.04g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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