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1353960-72-1 | 2-Chloro-N-isoquinolin-1-ylmethyl-N-methyl-acetamide
CAS No: 1353960-72-1 Catalog No: AG01F8HV MDL No:
Product Description
Catalog Number:
AG01F8HV
Chemical Name:
2-Chloro-N-isoquinolin-1-ylmethyl-N-methyl-acetamide
CAS Number:
1353960-72-1
Molecular Formula:
C13H13ClN2O
Molecular Weight:
248.7081
IUPAC Name:
2-chloro-N-(isoquinolin-1-ylmethyl)-N-methylacetamide
InChI:
InChI=1S/C13H13ClN2O/c1-16(13(17)8-14)9-12-11-5-3-2-4-10(11)6-7-15-12/h2-7H,8-9H2,1H3
InChI Key:
QBRLXSSIJVTCAR-UHFFFAOYSA-N
SMILES:
ClCC(=O)N(Cc1nccc2c1cccc2)C
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.072g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.71g/mol
Monoisotopic Mass:
248.072g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
33.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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