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89423-26-7 | Acetic acid, (4-iodophenoxy)-, compd. with N,N-diethylethanamine(1:1)
CAS No: 89423-26-7 Catalog No: AG0043OW MDL No:
Product Description
Catalog Number:
AG0043OW
Chemical Name:
Acetic acid, (4-iodophenoxy)-, compd. with N,N-diethylethanamine(1:1)
CAS Number:
89423-26-7
Molecular Formula:
C14H22INO3
Molecular Weight:
379.2338
IUPAC Name:
N,N-diethylethanamine;2-(4-iodophenoxy)acetic acid
InChI:
InChI=1S/C8H7IO3.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:
QKFVVOFELNKXLE-UHFFFAOYSA-N
SMILES:
OC(=O)COc1ccc(cc1)I.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:
379.064g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
379.238g/mol
Monoisotopic Mass:
379.064g/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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