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22942-87-6 | 2H-Indol-2-one, 3-bromo-1,3-dihydro-
CAS No: 22942-87-6 Catalog No: AG002LLY MDL No:
Product Description
Catalog Number:
AG002LLY
Chemical Name:
2H-Indol-2-one, 3-bromo-1,3-dihydro-
CAS Number:
22942-87-6
Molecular Formula:
C8H6BrNO
Molecular Weight:
212.0433
IUPAC Name:
3-bromo-1,3-dihydroindol-2-one
InChI:
InChI=1S/C8H6BrNO/c9-7-5-3-1-2-4-6(5)10-8(7)11/h1-4,7H,(H,10,11)
InChI Key:
KQNMNQHOKUHSJP-UHFFFAOYSA-N
SMILES:
O=C1Nc2c(C1Br)cccc2
Properties
Complexity:
183
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:
1
Isotope Atom Count:
0
Molecular Weight:
212.046g/mol
Monoisotopic Mass:
210.963g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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