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88758-10-5 | Ethanimidamide, N-(2,3-dichloro-1-oxopropoxy)-2-(8-quinolinyloxy)-
CAS No: 88758-10-5 Catalog No: AG004CFT MDL No:
Product Description
Catalog Number:
AG004CFT
Chemical Name:
Ethanimidamide, N-(2,3-dichloro-1-oxopropoxy)-2-(8-quinolinyloxy)-
CAS Number:
88758-10-5
Molecular Formula:
C14H13Cl2N3O3
Molecular Weight:
342.1773
IUPAC Name:
[(1-amino-2-quinolin-8-yloxyethylidene)amino] 2,3-dichloropropanoate
InChI:
InChI=1S/C14H13Cl2N3O3/c15-7-10(16)14(20)22-19-12(17)8-21-11-5-1-3-9-4-2-6-18-13(9)11/h1-6,10H,7-8H2,(H2,17,19)
InChI Key:
ZCMRAIQQVQICLW-UHFFFAOYSA-N
SMILES:
ClCC(C(=O)ONC(=N)COc1cccc2c1nccc2)Cl
Properties
Complexity:
409
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
341.033g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
342.176g/mol
Monoisotopic Mass:
341.033g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
86.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
2.7
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