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20870-78-4 | 2H-Indol-2-one, 5-bromo-1,3-dihydro-
CAS No: 20870-78-4 Catalog No: AG002JUP MDL No:MFCD00456998
Product Description
Catalog Number:
AG002JUP
Chemical Name:
2H-Indol-2-one, 5-bromo-1,3-dihydro-
CAS Number:
20870-78-4
Molecular Formula:
C8H6BrNO
Molecular Weight:
212.0433
MDL Number:
MFCD00456998
IUPAC Name:
5-bromo-1,3-dihydroindol-2-one
InChI:
InChI=1S/C8H6BrNO/c9-6-1-2-7-5(3-6)4-8(11)10-7/h1-3H,4H2,(H,10,11)
InChI Key:
VIMNAEVMZXIKFL-UHFFFAOYSA-N
SMILES:
O=C1Nc2c(C1)cc(cc2)Br
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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