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88758-37-6 | Ethanimidamide, N-[(bromoacetyl)oxy]-2-(8-quinolinyloxy)-
CAS No: 88758-37-6 Catalog No: AG004C72 MDL No:
Product Description
Catalog Number:
AG004C72
Chemical Name:
Ethanimidamide, N-[(bromoacetyl)oxy]-2-(8-quinolinyloxy)-
CAS Number:
88758-37-6
Molecular Formula:
C13H12BrN3O3
Molecular Weight:
338.1567
IUPAC Name:
[(1-amino-2-quinolin-8-yloxyethylidene)amino] 2-bromoacetate
InChI:
InChI=1S/C13H12BrN3O3/c14-7-12(18)20-17-11(15)8-19-10-5-1-3-9-4-2-6-16-13(9)10/h1-6H,7-8H2,(H2,15,17)
InChI Key:
NZRSPKIPVOZFKG-UHFFFAOYSA-N
SMILES:
BrCC(=O)ONC(=N)COc1cccc2c1nccc2
Properties
Complexity:
365
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
337.006g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
338.161g/mol
Monoisotopic Mass:
337.006g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
86.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.1
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