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130401-94-4 | Hexanoic acid, 2,6-bis(4-chlorophenoxy)-
CAS No: 130401-94-4 Catalog No: AG000UDS MDL No:
Product Description
Catalog Number:
AG000UDS
Chemical Name:
Hexanoic acid, 2,6-bis(4-chlorophenoxy)-
CAS Number:
130401-94-4
Molecular Formula:
C18H18Cl2O4
Molecular Weight:
369.2391
IUPAC Name:
2,6-bis(4-chlorophenoxy)hexanoic acid
InChI:
InChI=1S/C18H18Cl2O4/c19-13-4-8-15(9-5-13)23-12-2-1-3-17(18(21)22)24-16-10-6-14(20)7-11-16/h4-11,17H,1-3,12H2,(H,21,22)
InChI Key:
BPWIMUFZTKINQQ-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)OCCCCC(C(=O)O)Oc1ccc(cc1)Cl
Properties
Complexity:
364
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
368.058g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
369.238g/mol
Monoisotopic Mass:
368.058g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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