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144149-81-5

144149-81-5 | 1-Isoquinolinecarboxylic acid, 2-(4-chlorobenzoyl)-1,2,3,4-tetrahydro-

CAS No: 144149-81-5 Catalog No: AG001IZP MDL No:

Product Description

Catalog Number:
AG001IZP
Chemical Name:
1-Isoquinolinecarboxylic acid, 2-(4-chlorobenzoyl)-1,2,3,4-tetrahydro-
CAS Number:
144149-81-5
Molecular Formula:
C17H14ClNO3
Molecular Weight:
315.7510
IUPAC Name:
2-(4-chlorobenzoyl)-3,4-dihydro-1H-isoquinoline-1-carboxylic acid
InChI:
InChI=1S/C17H14ClNO3/c18-13-7-5-12(6-8-13)16(20)19-10-9-11-3-1-2-4-14(11)15(19)17(21)22/h1-8,15H,9-10H2,(H,21,22)
InChI Key:
XMYUBFNEEBDURU-UHFFFAOYSA-N
SMILES:
OC(=O)C1N(CCc2c1cccc2)C(=O)c1ccc(cc1)Cl

Properties

Complexity:
434  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.066g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
315.753g/mol
Monoisotopic Mass:
315.066g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  

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