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Home > Aldehydes > 113580-56-6
113580-56-6 | 1H-Pyrrolo[3,2-b]quinoline-3-carboxaldehyde, 9-chloro-
CAS No: 113580-56-6 Catalog No: AG00091Z MDL No:
Product Description
Catalog Number:
AG00091Z
Chemical Name:
1H-Pyrrolo[3,2-b]quinoline-3-carboxaldehyde, 9-chloro-
CAS Number:
113580-56-6
Molecular Formula:
C12H7ClN2O
Molecular Weight:
230.6498
IUPAC Name:
9-chloro-1H-pyrrolo[3,2-b]quinoline-3-carbaldehyde
InChI:
InChI=1S/C12H7ClN2O/c13-10-8-3-1-2-4-9(8)15-11-7(6-16)5-14-12(10)11/h1-6,14H
InChI Key:
KFRJWXPOPROPHO-UHFFFAOYSA-N
SMILES:
O=Cc1c[nH]c2c1nc1ccccc1c2Cl
Properties
Complexity:
286
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.025g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
230.651g/mol
Monoisotopic Mass:
230.025g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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