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114224-28-1 | 1H-Indol-3-ol, 7-bromo-
CAS No: 114224-28-1 Catalog No: AG000AVD MDL No:
Product Description
Catalog Number:
AG000AVD
Chemical Name:
1H-Indol-3-ol, 7-bromo-
CAS Number:
114224-28-1
Molecular Formula:
C8H6BrNO
Molecular Weight:
212.0433
IUPAC Name:
tert-butyl 7-bromo-3-hydroxyindole-1-carboxylate
InChI:
InChI=1S/C13H14BrNO3/c1-13(2,3)18-12(17)15-7-10(16)8-5-4-6-9(14)11(8)15/h4-7,16H,1-3H3
InChI Key:
NVGOTYUVLHTFSJ-UHFFFAOYSA-N
SMILES:
Oc1c[nH]c2c1cccc2Br
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.016g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
312.163g/mol
Monoisotopic Mass:
311.016g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
51.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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