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18334-96-8 | 1H-Indole, 3-(2-bromoethyl)-5-methoxy-
CAS No: 18334-96-8 Catalog No: AG0027J0 MDL No:
Product Description
Catalog Number:
AG0027J0
Chemical Name:
1H-Indole, 3-(2-bromoethyl)-5-methoxy-
CAS Number:
18334-96-8
Molecular Formula:
C11H12BrNO
Molecular Weight:
254.1231
IUPAC Name:
3-(2-bromoethyl)-5-methoxy-1H-indole
InChI:
InChI=1S/C11H12BrNO/c1-14-9-2-3-11-10(6-9)8(4-5-12)7-13-11/h2-3,6-7,13H,4-5H2,1H3
InChI Key:
WBDAYIPVARSWMX-UHFFFAOYSA-N
SMILES:
BrCCc1c[nH]c2c1cc(OC)cc2
Properties
Complexity:
188
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:
1
Isotope Atom Count:
0
Molecular Weight:
254.127g/mol
Monoisotopic Mass:
253.01g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
25A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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