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89508-58-7 | 1H-Indole, 3-(4,6-dichloro-2-pyrimidinyl)-1-methyl-
CAS No: 89508-58-7 Catalog No: AG0041EG MDL No:
Product Description
Catalog Number:
AG0041EG
Chemical Name:
1H-Indole, 3-(4,6-dichloro-2-pyrimidinyl)-1-methyl-
CAS Number:
89508-58-7
Molecular Formula:
C13H9Cl2N3
Molecular Weight:
278.1367
IUPAC Name:
3-(4,6-dichloropyrimidin-2-yl)-1-methylindole
InChI:
InChI=1S/C13H9Cl2N3/c1-18-7-9(8-4-2-3-5-10(8)18)13-16-11(14)6-12(15)17-13/h2-7H,1H3
InChI Key:
STSQZRRSXVGPFF-UHFFFAOYSA-N
SMILES:
Clc1cc(Cl)nc(n1)c1cn(c2c1cccc2)C
Properties
Complexity:
292
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.017g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
278.136g/mol
Monoisotopic Mass:
277.017g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
30.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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