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81224-16-0 | 7-Bromo-4-methoxy-1H-indole
CAS No: 81224-16-0 Catalog No: AG005F3K MDL No:MFCD04037872
Product Description
Catalog Number:
AG005F3K
Chemical Name:
7-Bromo-4-methoxy-1H-indole
CAS Number:
81224-16-0
Molecular Formula:
C9H8BrNO
Molecular Weight:
226.0699
MDL Number:
MFCD04037872
IUPAC Name:
7-bromo-4-methoxy-1H-indole
InChI:
InChI=1S/C9H8BrNO/c1-12-8-3-2-7(10)9-6(8)4-5-11-9/h2-5,11H,1H3
InChI Key:
WWKHWWGUJPWWDF-UHFFFAOYSA-N
SMILES:
COc1ccc(c2c1cc[nH]2)Br
Properties
Complexity:
165
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.979g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
226.073g/mol
Monoisotopic Mass:
224.979g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
25A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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