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119963-90-5 | 1H-Indole-5,6-diol, 2-methyl-, hydrobromide (1:1)
CAS No: 119963-90-5 Catalog No: AG000PX0 MDL No:
Product Description
Catalog Number:
AG000PX0
Chemical Name:
1H-Indole-5,6-diol, 2-methyl-, hydrobromide (1:1)
CAS Number:
119963-90-5
Molecular Formula:
C9H10BrNO2
Molecular Weight:
244.0852
IUPAC Name:
2-methyl-1H-indole-5,6-diol;hydrobromide
InChI:
InChI=1S/C9H9NO2.BrH/c1-5-2-6-3-8(11)9(12)4-7(6)10-5;/h2-4,10-12H,1H3;1H
InChI Key:
ANJWKQLFXMIKAG-UHFFFAOYSA-N
SMILES:
Cc1[nH]c2c(c1)cc(c(c2)O)O.Br
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.989g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
244.088g/mol
Monoisotopic Mass:
242.989g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
56.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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