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72118-68-4 | 4-Isoquinolinecarboxaldehyde, 3-chloro-1-phenyl-
CAS No: 72118-68-4 Catalog No: AG006AF7 MDL No:
Product Description
Catalog Number:
AG006AF7
Chemical Name:
4-Isoquinolinecarboxaldehyde, 3-chloro-1-phenyl-
CAS Number:
72118-68-4
Molecular Formula:
C16H10ClNO
Molecular Weight:
267.7097
IUPAC Name:
3-chloro-1-phenylisoquinoline-4-carbaldehyde
InChI:
InChI=1S/C16H10ClNO/c17-16-14(10-19)12-8-4-5-9-13(12)15(18-16)11-6-2-1-3-7-11/h1-10H
InChI Key:
AZQIHIGUNAJOSH-UHFFFAOYSA-N
SMILES:
O=Cc1c(Cl)nc(c2c1cccc2)c1ccccc1
Properties
Complexity:
316
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.045g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
267.712g/mol
Monoisotopic Mass:
267.045g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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