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114344-59-1 | 1H-Indole-2,3-dione, 7-bromo-, 3-oxime
CAS No: 114344-59-1 Catalog No: AG000B59 MDL No:
Product Description
Catalog Number:
AG000B59
Chemical Name:
1H-Indole-2,3-dione, 7-bromo-, 3-oxime
CAS Number:
114344-59-1
Molecular Formula:
C8H5BrN2O2
Molecular Weight:
241.0415
IUPAC Name:
7-bromo-3-nitroso-1H-indol-2-ol
InChI:
InChI=1S/C8H5BrN2O2/c9-5-3-1-2-4-6(5)10-8(12)7(4)11-13/h1-3,10,12H
InChI Key:
YPPVKGJLZHYJAA-UHFFFAOYSA-N
SMILES:
ON=C1C(=O)Nc2c1cccc2Br
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.953g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
241.044g/mol
Monoisotopic Mass:
239.953g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
65.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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