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131057-76-6 | 1H-Indol-5-ol, 2,3-dihydro-1,3,3-trimethyl-, hydrobromide (1:1)
CAS No: 131057-76-6 Catalog No: AG000VGO MDL No:
Product Description
Catalog Number:
AG000VGO
Chemical Name:
1H-Indol-5-ol, 2,3-dihydro-1,3,3-trimethyl-, hydrobromide (1:1)
CAS Number:
131057-76-6
Molecular Formula:
C11H16BrNO
Molecular Weight:
258.1548
IUPAC Name:
1,3,3-trimethyl-2H-indol-5-ol;hydrobromide
InChI:
InChI=1S/C11H15NO.BrH/c1-11(2)7-12(3)10-5-4-8(13)6-9(10)11;/h4-6,13H,7H2,1-3H3;1H
InChI Key:
SETLJPZOTWFVIS-UHFFFAOYSA-N
SMILES:
Oc1ccc2c(c1)C(C)(C)CN2C.Br
Properties
Complexity:
202
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.042g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
258.159g/mol
Monoisotopic Mass:
257.042g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
23.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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