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125849-36-7 | Butanimidic acid, 4-([1,1'-biphenyl]-2-yloxy)-, ethyl ester, hydrochloride (1:1)
CAS No: 125849-36-7 Catalog No: AG000OUK MDL No:
Product Description
Catalog Number:
AG000OUK
Chemical Name:
Butanimidic acid, 4-([1,1'-biphenyl]-2-yloxy)-, ethyl ester, hydrochloride (1:1)
CAS Number:
125849-36-7
Molecular Formula:
C18H22ClNO2
Molecular Weight:
319.8258
IUPAC Name:
ethyl 4-(2-phenylphenoxy)butanimidate;hydrochloride
InChI:
InChI=1S/C18H21NO2.ClH/c1-2-20-18(19)13-8-14-21-17-12-7-6-11-16(17)15-9-4-3-5-10-15;/h3-7,9-12,19H,2,8,13-14H2,1H3;1H
InChI Key:
GFLIVIKRPBFXFB-UHFFFAOYSA-N
SMILES:
CCOC(=N)CCCOc1ccccc1c1ccccc1.Cl
Properties
Complexity:
300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.134g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
319.829g/mol
Monoisotopic Mass:
319.134g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
42.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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