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114253-18-8 | 1H-Indol-3-ol, 5-bromo-
CAS No: 114253-18-8 Catalog No: AG000AXN MDL No:
Product Description
Catalog Number:
AG000AXN
Chemical Name:
1H-Indol-3-ol, 5-bromo-
CAS Number:
114253-18-8
Molecular Formula:
C8H6BrNO
Molecular Weight:
212.0433
IUPAC Name:
5-bromo-1H-indol-3-ol
InChI:
InChI=1S/C8H6BrNO/c9-5-1-2-7-6(3-5)8(11)4-10-7/h1-4,10-11H
InChI Key:
LBXRGISCDMNDSD-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)c(O)c[nH]2
Properties
Complexity:
153
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.963g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
212.046g/mol
Monoisotopic Mass:
210.963g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
36A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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