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1349716-45-5 | 3-(5-Chloro-1H-indol-1-yl)benzyl alcohol
CAS No: 1349716-45-5 Catalog No: AG01FBYR MDL No:
Product Description
Catalog Number:
AG01FBYR
Chemical Name:
3-(5-Chloro-1H-indol-1-yl)benzyl alcohol
CAS Number:
1349716-45-5
Molecular Formula:
C15H12ClNO
Molecular Weight:
257.7149
IUPAC Name:
[3-(5-chloroindol-1-yl)phenyl]methanol
InChI:
InChI=1S/C15H12ClNO/c16-13-4-5-15-12(9-13)6-7-17(15)14-3-1-2-11(8-14)10-18/h1-9,18H,10H2
InChI Key:
KWNYFTRFHLEDDI-UHFFFAOYSA-N
SMILES:
OCc1cccc(c1)n1ccc2c1ccc(c2)Cl
Properties
Complexity:
286
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.061g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
257.717g/mol
Monoisotopic Mass:
257.061g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
25.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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