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208464-41-9 | 1H-Indole, 5-bromo-3-[[(2S)-1-methyl-2-pyrrolidinyl]methyl]-
CAS No: 208464-41-9 Catalog No: AG002JPP MDL No:
Product Description
Catalog Number:
AG002JPP
Chemical Name:
1H-Indole, 5-bromo-3-[[(2S)-1-methyl-2-pyrrolidinyl]methyl]-
CAS Number:
208464-41-9
Molecular Formula:
C14H17BrN2
Molecular Weight:
293.2022
IUPAC Name:
5-bromo-3-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-1H-indole
InChI:
InChI=1S/C14H17BrN2/c1-17-6-2-3-12(17)7-10-9-16-14-5-4-11(15)8-13(10)14/h4-5,8-9,12,16H,2-3,6-7H2,1H3/t12-/m0/s1
InChI Key:
JCXOJXALBTZEFE-LBPRGKRZSA-N
SMILES:
CN1CCC[C@H]1Cc1c[nH]c2c1cc(Br)cc2
Properties
Complexity:
271
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
292.058g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
293.208g/mol
Monoisotopic Mass:
292.058g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
19A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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