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23694-51-1 | 1H-Indole-3-carboxaldehyde, 1-(4-chlorobenzoyl)-5-methoxy-2-methyl-
CAS No: 23694-51-1 Catalog No: AG002O6R MDL No:
Product Description
Catalog Number:
AG002O6R
Chemical Name:
1H-Indole-3-carboxaldehyde, 1-(4-chlorobenzoyl)-5-methoxy-2-methyl-
CAS Number:
23694-51-1
Molecular Formula:
C18H14ClNO3
Molecular Weight:
327.7617
IUPAC Name:
1-(4-chlorobenzoyl)-5-methoxy-2-methylindole-3-carbaldehyde
InChI:
InChI=1S/C18H14ClNO3/c1-11-16(10-21)15-9-14(23-2)7-8-17(15)20(11)18(22)12-3-5-13(19)6-4-12/h3-10H,1-2H3
InChI Key:
JIBCAXYVBPCERY-UHFFFAOYSA-N
SMILES:
O=Cc1c(C)n(c2c1cc(OC)cc2)C(=O)c1ccc(cc1)Cl
Properties
Complexity:
450
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
327.066g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
327.764g/mol
Monoisotopic Mass:
327.066g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
48.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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