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77445-10-4 | 1H-Indole, 2-(2-chloro-4-fluorophenyl)-
CAS No: 77445-10-4 Catalog No: AG005LLL MDL No:
Product Description
Catalog Number:
AG005LLL
Chemical Name:
1H-Indole, 2-(2-chloro-4-fluorophenyl)-
CAS Number:
77445-10-4
Molecular Formula:
C14H9ClFN
Molecular Weight:
245.6794
IUPAC Name:
2-(2-chloro-4-fluorophenyl)-1H-indole
InChI:
InChI=1S/C14H9ClFN/c15-12-8-10(16)5-6-11(12)14-7-9-3-1-2-4-13(9)17-14/h1-8,17H
InChI Key:
PQNAKLYUZRHMIA-UHFFFAOYSA-N
SMILES:
Fc1ccc(c(c1)Cl)c1cc2c([nH]1)cccc2
Properties
Complexity:
273
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.041g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
245.681g/mol
Monoisotopic Mass:
245.041g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
15.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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