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1353978-24-1 | 2-Chloro-N-isoquinolin-1-ylmethyl-acetamide
CAS No: 1353978-24-1 Catalog No: AG01FAXS MDL No:
Product Description
Catalog Number:
AG01FAXS
Chemical Name:
2-Chloro-N-isoquinolin-1-ylmethyl-acetamide
CAS Number:
1353978-24-1
Molecular Formula:
C12H11ClN2O
Molecular Weight:
234.6815
IUPAC Name:
2-chloro-N-(isoquinolin-1-ylmethyl)acetamide
InChI:
InChI=1S/C12H11ClN2O/c13-7-12(16)15-8-11-10-4-2-1-3-9(10)5-6-14-11/h1-6H,7-8H2,(H,15,16)
InChI Key:
ZXVGQWFUMQZPIS-UHFFFAOYSA-N
SMILES:
ClCC(=O)NCc1nccc2c1cccc2
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.056g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
234.683g/mol
Monoisotopic Mass:
234.056g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
42A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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