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73355-46-1 | 1H-Indole-3-carboxaldehyde,2-chloro-4,7-dihydro-5-methoxy-1,6-dimethyl-4,7-dioxo-
CAS No: 73355-46-1 Catalog No: AG005OR9 MDL No:
Product Description
Catalog Number:
AG005OR9
Chemical Name:
1H-Indole-3-carboxaldehyde,2-chloro-4,7-dihydro-5-methoxy-1,6-dimethyl-4,7-dioxo-
CAS Number:
73355-46-1
Molecular Formula:
C12H10ClNO4
Molecular Weight:
267.6651
IUPAC Name:
2-chloro-5-methoxy-1,6-dimethyl-4,7-dioxoindole-3-carbaldehyde
InChI:
InChI=1S/C12H10ClNO4/c1-5-9(16)8-7(10(17)11(5)18-3)6(4-15)12(13)14(8)2/h4H,1-3H3
InChI Key:
FHZNTBFOYGKGHD-UHFFFAOYSA-N
SMILES:
COC1=C(C)C(=O)c2c(C1=O)c(C=O)c(n2C)Cl
NSC Number:
315187
Properties
Complexity:
459
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.03g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
267.665g/mol
Monoisotopic Mass:
267.03g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
65.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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