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1000341-60-5 | 1H-Indole, 7-chloro-4-fluoro-
CAS No: 1000341-60-5 Catalog No: AG0000HI MDL No:
Product Description
Catalog Number:
AG0000HI
Chemical Name:
1H-Indole, 7-chloro-4-fluoro-
CAS Number:
1000341-60-5
Molecular Formula:
C8H5ClFN
Molecular Weight:
169.5834
IUPAC Name:
7-chloro-4-fluoro-1H-indole
InChI:
InChI=1S/C8H5ClFN/c9-6-1-2-7(10)5-3-4-11-8(5)6/h1-4,11H
InChI Key:
BCLHBKXFGWZSIO-UHFFFAOYSA-N
SMILES:
Fc1ccc(c2c1cc[nH]2)Cl
Properties
Complexity:
153
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.009g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
169.583g/mol
Monoisotopic Mass:
169.009g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
15.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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