Home Aldehydes 3-Chloroisoquinoline-4-carbaldehyde

3-Chloroisoquinoline-4-carbaldehyde

CAS No.:
120285-29-2
Catalog Number:
AG0094KX
Molecular Formula:
C10H6ClNO
Molecular Weight:
191.6137
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Product Description
Catalog Number:
AG0094KX
Chemical Name:
3-Chloroisoquinoline-4-carbaldehyde
CAS Number:
120285-29-2
Molecular Formula:
C10H6ClNO
Molecular Weight:
191.6137
MDL Number:
MFCD13193417
IUPAC Name:
3-chloroisoquinoline-4-carbaldehyde
InChI:
InChI=1S/C10H6ClNO/c11-10-9(6-13)8-4-2-1-3-7(8)5-12-10/h1-6H
InChI Key:
HMSMGFVSFVMHFQ-UHFFFAOYSA-N
SMILES:
O=Cc1c(Cl)ncc2c1cccc2
Properties
Complexity:
197  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.014g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
191.614g/mol
Monoisotopic Mass:
191.014g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties