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850706-05-7 | 1H-Inden-1-amine, 6-fluoro-2,3-dihydro-N-2-propynyl-, (1R)-
CAS No: 850706-05-7 Catalog No: AG004RR0 MDL No:
Product Description
Catalog Number:
AG004RR0
Chemical Name:
1H-Inden-1-amine, 6-fluoro-2,3-dihydro-N-2-propynyl-, (1R)-
CAS Number:
850706-05-7
Molecular Formula:
C12H12FN
Molecular Weight:
189.2288
IUPAC Name:
(1R)-6-fluoro-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine
InChI:
InChI=1S/C12H12FN/c1-2-7-14-12-6-4-9-3-5-10(13)8-11(9)12/h1,3,5,8,12,14H,4,6-7H2/t12-/m1/s1
InChI Key:
SJGUUGICXKISGE-GFCCVEGCSA-N
SMILES:
Fc1cc2[C@@H](CCc2cc1)NCC#C
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
189.095g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
189.233g/mol
Monoisotopic Mass:
189.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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