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27784-79-8 | 4H-Indol-4-one, 2-bromo-1,5,6,7-tetrahydro-
CAS No: 27784-79-8 Catalog No: AG002UQH MDL No:
Product Description
Catalog Number:
AG002UQH
Chemical Name:
4H-Indol-4-one, 2-bromo-1,5,6,7-tetrahydro-
CAS Number:
27784-79-8
Molecular Formula:
C8H8BrNO
Molecular Weight:
214.0592
IUPAC Name:
2-bromo-1,5,6,7-tetrahydroindol-4-one
InChI:
InChI=1S/C8H8BrNO/c9-8-4-5-6(10-8)2-1-3-7(5)11/h4,10H,1-3H2
InChI Key:
TTYFVLXVNAATTA-UHFFFAOYSA-N
SMILES:
O=C1CCCc2c1cc([nH]2)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:
212.979g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
214.062g/mol
Monoisotopic Mass:
212.979g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
32.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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