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1245643-02-0 | 5-Isoquinolinecarboxylic acid, 1-chloro-6-methyl-
CAS No: 1245643-02-0 Catalog No: AG000M8L MDL No:MFCD17014895
Product Description
Catalog Number:
AG000M8L
Chemical Name:
5-Isoquinolinecarboxylic acid, 1-chloro-6-methyl-
CAS Number:
1245643-02-0
Molecular Formula:
C11H8ClNO2
Molecular Weight:
221.6397
MDL Number:
MFCD17014895
IUPAC Name:
1-chloro-6-methylisoquinoline-5-carboxylic acid
InChI:
InChI=1S/C11H8ClNO2/c1-6-2-3-8-7(9(6)11(14)15)4-5-13-10(8)12/h2-5H,1H3,(H,14,15)
InChI Key:
DKAFNWYTPLCECP-UHFFFAOYSA-N
SMILES:
OC(=O)c1c(C)ccc2c1ccnc2Cl
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.024g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
221.64g/mol
Monoisotopic Mass:
221.024g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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