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73355-44-9 | 1H-Indole-3-carboxaldehyde,2-chloro-4,7-dihydro-5-hydroxy-6-methyl-4,7-dioxo-
CAS No: 73355-44-9 Catalog No: AG005ORA MDL No:
Product Description
Catalog Number:
AG005ORA
Chemical Name:
1H-Indole-3-carboxaldehyde,2-chloro-4,7-dihydro-5-hydroxy-6-methyl-4,7-dioxo-
CAS Number:
73355-44-9
Molecular Formula:
C10H6ClNO4
Molecular Weight:
239.6119
IUPAC Name:
2-chloro-7-hydroxy-6-methyl-4,5-dioxo-1H-indole-3-carbaldehyde
InChI:
InChI=1S/C10H6ClNO4/c1-3-7(14)6-5(9(16)8(3)15)4(2-13)10(11)12-6/h2,12,14H,1H3
InChI Key:
OMXBQKCIQLIDJH-UHFFFAOYSA-N
SMILES:
O=Cc1c(Cl)[nH]c2c1C(=O)C(=O)C(=C2O)C
NSC Number:
315183
Properties
Complexity:
417
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.999g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
239.611g/mol
Monoisotopic Mass:
238.999g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
87.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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