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158920-11-7 | 1H-Indole, 6,7-dibromo-4-methoxy-
CAS No: 158920-11-7 Catalog No: AG001R0I MDL No:MFCD04114741
Product Description
Catalog Number:
AG001R0I
Chemical Name:
1H-Indole, 6,7-dibromo-4-methoxy-
CAS Number:
158920-11-7
Molecular Formula:
C9H7Br2NO
Molecular Weight:
304.9660
MDL Number:
MFCD04114741
IUPAC Name:
6,7-dibromo-4-methoxy-1H-indole
InChI:
InChI=1S/C9H7Br2NO/c1-13-7-4-6(10)8(11)9-5(7)2-3-12-9/h2-4,12H,1H3
InChI Key:
WTWQKKHLJQVITE-UHFFFAOYSA-N
SMILES:
COc1cc(Br)c(c2c1cc[nH]2)Br
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.887g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
304.969g/mol
Monoisotopic Mass:
302.889g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
25A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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