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88456-04-6 | 4-Isoquinolinecarboxaldehyde, 3-chloro-1-[4-(diethylamino)phenyl]-
CAS No: 88456-04-6 Catalog No: AG004IMY MDL No:
Product Description
Catalog Number:
AG004IMY
Chemical Name:
4-Isoquinolinecarboxaldehyde, 3-chloro-1-[4-(diethylamino)phenyl]-
CAS Number:
88456-04-6
Molecular Formula:
C20H19ClN2O
Molecular Weight:
338.8307
IUPAC Name:
3-chloro-1-[4-(diethylamino)phenyl]isoquinoline-4-carbaldehyde
InChI:
InChI=1S/C20H19ClN2O/c1-3-23(4-2)15-11-9-14(10-12-15)19-17-8-6-5-7-16(17)18(13-24)20(21)22-19/h5-13H,3-4H2,1-2H3
InChI Key:
FLBPWYFAWBGCPQ-UHFFFAOYSA-N
SMILES:
CCN(c1ccc(cc1)c1nc(Cl)c(c2c1cccc2)C=O)CC
Properties
Complexity:
406
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.119g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
338.835g/mol
Monoisotopic Mass:
338.119g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
33.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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