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130401-92-2 | Butanoic acid, 2,4-bis(4-chlorophenoxy)-
CAS No: 130401-92-2 Catalog No: AG000UDT MDL No:
Product Description
Catalog Number:
AG000UDT
Chemical Name:
Butanoic acid, 2,4-bis(4-chlorophenoxy)-
CAS Number:
130401-92-2
Molecular Formula:
C16H14Cl2O4
Molecular Weight:
341.1860
IUPAC Name:
2,4-bis(4-chlorophenoxy)butanoic acid
InChI:
InChI=1S/C16H14Cl2O4/c17-11-1-5-13(6-2-11)21-10-9-15(16(19)20)22-14-7-3-12(18)4-8-14/h1-8,15H,9-10H2,(H,19,20)
InChI Key:
ZJFQZGORXLAJDE-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)OCCC(C(=O)O)Oc1ccc(cc1)Cl
Properties
Complexity:
337
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
340.027g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
341.184g/mol
Monoisotopic Mass:
340.027g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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