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144808-59-3 | 1H-Indole, 3-bromo-5-methoxy-1,2-dimethyl-
CAS No: 144808-59-3 Catalog No: AG001K75 MDL No:
Product Description
Catalog Number:
AG001K75
Chemical Name:
1H-Indole, 3-bromo-5-methoxy-1,2-dimethyl-
CAS Number:
144808-59-3
Molecular Formula:
C11H12BrNO
Molecular Weight:
254.1231
IUPAC Name:
3-bromo-5-methoxy-1,2-dimethylindole
InChI:
InChI=1S/C11H12BrNO/c1-7-11(12)9-6-8(14-3)4-5-10(9)13(7)2/h4-6H,1-3H3
InChI Key:
SIYYSBXBZBYFHY-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)c(Br)c(n2C)C
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.01g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.127g/mol
Monoisotopic Mass:
253.01g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
14.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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