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18359-64-3 | 1H-Indole, 5-bromo-2,3-dihydro-1-(phenylmethyl)-
CAS No: 18359-64-3 Catalog No: AG0027QC MDL No:
Product Description
Catalog Number:
AG0027QC
Chemical Name:
1H-Indole, 5-bromo-2,3-dihydro-1-(phenylmethyl)-
CAS Number:
18359-64-3
Molecular Formula:
C15H14BrN
Molecular Weight:
288.1824
IUPAC Name:
1-benzyl-5-bromo-2,3-dihydroindole
InChI:
InChI=1S/C15H14BrN/c16-14-6-7-15-13(10-14)8-9-17(15)11-12-4-2-1-3-5-12/h1-7,10H,8-9,11H2
InChI Key:
FDXGXZGDUAEFEU-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)CCN2Cc1ccccc1
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.031g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
288.188g/mol
Monoisotopic Mass:
287.031g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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