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240799-61-5 | 1-chloro-N,N-dimethylisoquinoline-4-carboxamide
CAS No: 240799-61-5 Catalog No: AG00IMQY MDL No:MFCD00140319
Product Description
Catalog Number:
AG00IMQY
Chemical Name:
1-chloro-N,N-dimethylisoquinoline-4-carboxamide
CAS Number:
240799-61-5
Molecular Formula:
C12H11ClN2O
Molecular Weight:
234.6815
MDL Number:
MFCD00140319
IUPAC Name:
1-chloro-N,N-dimethylisoquinoline-4-carboxamide
InChI:
InChI=1S/C12H11ClN2O/c1-15(2)12(16)10-7-14-11(13)9-6-4-3-5-8(9)10/h3-7H,1-2H3
InChI Key:
DRPUDBSXSRQPCY-UHFFFAOYSA-N
SMILES:
CN(C(=O)c1cnc(c2c1cccc2)Cl)C
Properties
Complexity:
270
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:
0
Isotope Atom Count:
0
Molecular Weight:
234.683g/mol
Monoisotopic Mass:
234.056g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
33.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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