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1256353-08-8 | 3-Isoquinolinecarboxylic acid, 1-chloro-, ethyl ester
CAS No: 1256353-08-8 Catalog No: AG000O1V MDL No:MFCD13195449
Product Description
Catalog Number:
AG000O1V
Chemical Name:
3-Isoquinolinecarboxylic acid, 1-chloro-, ethyl ester
CAS Number:
1256353-08-8
Molecular Formula:
C12H10ClNO2
Molecular Weight:
235.6663
MDL Number:
MFCD13195449
IUPAC Name:
ethyl 1-chloroisoquinoline-3-carboxylate
InChI:
InChI=1S/C12H10ClNO2/c1-2-16-12(15)10-7-8-5-3-4-6-9(8)11(13)14-10/h3-7H,2H2,1H3
InChI Key:
GXEXRFKWVZFFHB-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc2ccccc2c(n1)Cl
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.04g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235.667g/mol
Monoisotopic Mass:
235.04g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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