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114305-99-6 | 1H-Indol-3-ol, 6-chloro-, 3-acetate
CAS No: 114305-99-6 Catalog No: AG000B1J MDL No:MFCD00269776
Product Description
Catalog Number:
AG000B1J
Chemical Name:
1H-Indol-3-ol, 6-chloro-, 3-acetate
CAS Number:
114305-99-6
Molecular Formula:
C10H8ClNO2
Molecular Weight:
209.6290
MDL Number:
MFCD00269776
IUPAC Name:
(6-chloro-1H-indol-3-yl) acetate
InChI:
InChI=1S/C10H8ClNO2/c1-6(13)14-10-5-12-9-4-7(11)2-3-8(9)10/h2-5,12H,1H3
InChI Key:
IPTGFPYPSDDUBV-UHFFFAOYSA-N
SMILES:
CC(=O)Oc1c[nH]c2c1ccc(c2)Cl
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.024g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
209.629g/mol
Monoisotopic Mass:
209.024g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
42.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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