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188722-87-4 | 1H-Indole, 2-[(4-chlorophenoxy)methyl]-1-methyl-
CAS No: 188722-87-4 Catalog No: AG002H84 MDL No:
Product Description
Catalog Number:
AG002H84
Chemical Name:
1H-Indole, 2-[(4-chlorophenoxy)methyl]-1-methyl-
CAS Number:
188722-87-4
Molecular Formula:
C16H14ClNO
Molecular Weight:
271.7415
IUPAC Name:
2-[(4-chlorophenoxy)methyl]-1-methylindole
InChI:
InChI=1S/C16H14ClNO/c1-18-14(10-12-4-2-3-5-16(12)18)11-19-15-8-6-13(17)7-9-15/h2-10H,11H2,1H3
InChI Key:
KSKDYNQVCZOHOO-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)OCc1cc2c(n1C)cccc2
Properties
Complexity:
291
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.076g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
271.744g/mol
Monoisotopic Mass:
271.076g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
14.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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