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114306-00-2

114306-00-2 | 1H-Indol-3-ol, 5-chloro-, 3-acetate

CAS No: 114306-00-2 Catalog No: AG000B1I MDL No:MFCD03840871

Product Description

Catalog Number:
AG000B1I
Chemical Name:
1H-Indol-3-ol, 5-chloro-, 3-acetate
CAS Number:
114306-00-2
Molecular Formula:
C10H8ClNO2
Molecular Weight:
209.6290
MDL Number:
MFCD03840871
IUPAC Name:
(5-chloro-1H-indol-3-yl) acetate
InChI:
InChI=1S/C10H8ClNO2/c1-6(13)14-10-5-12-9-3-2-7(11)4-8(9)10/h2-5,12H,1H3
InChI Key:
IFSSBGDLKMSHCW-UHFFFAOYSA-N
SMILES:
CC(=O)Oc1c[nH]c2c1cc(Cl)cc2

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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