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1152888-86-2 | 1-chloroisoquinoline-3-carboxamide
CAS No: 1152888-86-2 Catalog No: AG01A7SY MDL No:MFCD11106573
Product Description
Catalog Number:
AG01A7SY
Chemical Name:
1-chloroisoquinoline-3-carboxamide
CAS Number:
1152888-86-2
Molecular Formula:
C10H7ClN2O
Molecular Weight:
206.6284
MDL Number:
MFCD11106573
IUPAC Name:
1-chloroisoquinoline-3-carboxamide
InChI:
InChI=1S/C10H7ClN2O/c11-9-7-4-2-1-3-6(7)5-8(13-9)10(12)14/h1-5H,(H2,12,14)
InChI Key:
UIJJNGNKPYUDMR-UHFFFAOYSA-N
SMILES:
NC(=O)c1cc2ccccc2c(n1)Cl
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.025g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
206.629g/mol
Monoisotopic Mass:
206.025g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
56A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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