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1788036-24-7 | 1H-Indole-3-ethanamine, 6-chloro-5-fluoro-α-methyl-, hydrochloride (1:1), (αS)-
CAS No: 1788036-24-7 Catalog No: AG0026BN MDL No:MFCD28501840
Product Description
Catalog Number:
AG0026BN
Chemical Name:
1H-Indole-3-ethanamine, 6-chloro-5-fluoro-α-methyl-, hydrochloride (1:1), (αS)-
CAS Number:
1788036-24-7
Molecular Formula:
C11H13Cl2FN2
Molecular Weight:
263.1387
MDL Number:
MFCD28501840
IUPAC Name:
(2S)-1-(6-chloro-5-fluoro-1H-indol-3-yl)propan-2-amine;hydrochloride
InChI:
InChI=1S/C11H12ClFN2.ClH/c1-6(14)2-7-5-15-11-4-9(12)10(13)3-8(7)11;/h3-6,15H,2,14H2,1H3;1H/t6-;/m0./s1
InChI Key:
USTNGKFNSDFFOL-RGMNGODLSA-N
SMILES:
C[C@@H](Cc1c[nH]c2c1cc(F)c(c2)Cl)N.Cl
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
262.044g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
263.137g/mol
Monoisotopic Mass:
262.044g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
41.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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