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1557791-12-4 | 2-(2-azidoethyl)-1,2-dihydroisoquinolin-1-one
CAS No: 1557791-12-4 Catalog No: AG01C4AW MDL No:MFCD24258359
Product Description
Catalog Number:
AG01C4AW
Chemical Name:
2-(2-azidoethyl)-1,2-dihydroisoquinolin-1-one
CAS Number:
1557791-12-4
Molecular Formula:
C11H10N4O
Molecular Weight:
214.2233
MDL Number:
MFCD24258359
IUPAC Name:
2-(2-azidoethyl)isoquinolin-1-one
InChI:
InChI=1S/C11H10N4O/c12-14-13-6-8-15-7-5-9-3-1-2-4-10(9)11(15)16/h1-5,7H,6,8H2
InChI Key:
USVGUTWEDJPJIY-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=NCCn1ccc2c(c1=O)cccc2
Properties
Complexity:
346
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.085g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
214.228g/mol
Monoisotopic Mass:
214.085g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
34.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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