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89423-24-5 | Acetic acid, (4-chlorophenoxy)-, compd. with N,N-diethylethanamine(1:1)
CAS No: 89423-24-5 Catalog No: AG0044SH MDL No:
Product Description
Catalog Number:
AG0044SH
Chemical Name:
Acetic acid, (4-chlorophenoxy)-, compd. with N,N-diethylethanamine(1:1)
CAS Number:
89423-24-5
Molecular Formula:
C14H22ClNO3
Molecular Weight:
287.7824
IUPAC Name:
2-(4-chlorophenoxy)acetic acid;N,N-diethylethanamine
InChI:
InChI=1S/C8H7ClO3.C6H15N/c9-6-1-3-7(4-2-6)12-5-8(10)11;1-4-7(5-2)6-3/h1-4H,5H2,(H,10,11);4-6H2,1-3H3
InChI Key:
WTXZSLOAANNSNW-UHFFFAOYSA-N
SMILES:
OC(=O)COc1ccc(cc1)Cl.CCN(CC)CC
Properties
Complexity:
178
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.129g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
287.784g/mol
Monoisotopic Mass:
287.129g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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