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1167056-54-3 | 1H-Indole, 6-chloro-4-fluoro-7-methyl-
CAS No: 1167056-54-3 Catalog No: AG000D44 MDL No:
Product Description
Catalog Number:
AG000D44
Chemical Name:
1H-Indole, 6-chloro-4-fluoro-7-methyl-
CAS Number:
1167056-54-3
Molecular Formula:
C9H7ClFN
Molecular Weight:
183.6100
IUPAC Name:
6-chloro-4-fluoro-7-methyl-1H-indole
InChI:
InChI=1S/C9H7ClFN/c1-5-7(10)4-8(11)6-2-3-12-9(5)6/h2-4,12H,1H3
InChI Key:
DGIBIIOVXBXUIZ-UHFFFAOYSA-N
SMILES:
Clc1cc(F)c2c(c1C)[nH]cc2
Properties
Complexity:
176
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.025g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
183.61g/mol
Monoisotopic Mass:
183.025g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
15.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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