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1699588-52-7 | 3-Cyclobutyl-5-fluoro-1H-indole
CAS No: 1699588-52-7 Catalog No: AG01FEXP MDL No:
Product Description
Catalog Number:
AG01FEXP
Chemical Name:
3-Cyclobutyl-5-fluoro-1H-indole
CAS Number:
1699588-52-7
Molecular Formula:
C12H12FN
Molecular Weight:
189.2288
IUPAC Name:
3-cyclobutyl-5-fluoro-1H-indole
InChI:
InChI=1S/C12H12FN/c13-9-4-5-12-10(6-9)11(7-14-12)8-2-1-3-8/h4-8,14H,1-3H2
InChI Key:
HPKSQOVVWPRNGI-UHFFFAOYSA-N
SMILES:
Fc1ccc2c(c1)c(c[nH]2)C1CCC1
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.095g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
189.233g/mol
Monoisotopic Mass:
189.095g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
15.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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