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73355-43-8 | 1H-Indole-3-carboxaldehyde,4,5,7-tris(acetyloxy)-2-chloro-6-methyl-
CAS No: 73355-43-8 Catalog No: AG005ORB MDL No:
Product Description
Catalog Number:
AG005ORB
Chemical Name:
1H-Indole-3-carboxaldehyde,4,5,7-tris(acetyloxy)-2-chloro-6-methyl-
CAS Number:
73355-43-8
Molecular Formula:
C16H14ClNO7
Molecular Weight:
367.7379
IUPAC Name:
(4,5-diacetyloxy-2-chloro-3-formyl-6-methyl-1H-indol-7-yl) acetate
InChI:
InChI=1S/C16H14ClNO7/c1-6-13(23-7(2)20)12-11(10(5-19)16(17)18-12)15(25-9(4)22)14(6)24-8(3)21/h5,18H,1-4H3
InChI Key:
OCHPYSPPYXSVQB-UHFFFAOYSA-N
SMILES:
O=Cc1c(Cl)[nH]c2c1c(OC(=O)C)c(OC(=O)C)c(c2OC(=O)C)C
NSC Number:
315182
Properties
Complexity:
569
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
367.046g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
367.738g/mol
Monoisotopic Mass:
367.046g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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