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Home > Bromides > 1000342-58-4
1000342-58-4 | 1H-Indole, 6-bromo-2,3-dihydro-4-methoxy-
CAS No: 1000342-58-4 Catalog No: AG0000JC MDL No:
Product Description
Catalog Number:
AG0000JC
Chemical Name:
1H-Indole, 6-bromo-2,3-dihydro-4-methoxy-
CAS Number:
1000342-58-4
Molecular Formula:
C9H10BrNO
Molecular Weight:
228.0858
IUPAC Name:
6-bromo-4-methoxy-2,3-dihydro-1H-indole
InChI:
InChI=1S/C9H10BrNO/c1-12-9-5-6(10)4-8-7(9)2-3-11-8/h4-5,11H,2-3H2,1H3
InChI Key:
KZYMTDHZMMOCIV-UHFFFAOYSA-N
SMILES:
COc1cc(Br)cc2c1CCN2
Properties
Complexity:
165
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.995g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
228.089g/mol
Monoisotopic Mass:
226.995g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
21.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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