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19017-52-8 | 1H-Indole-3-acetic acid, 5-chloro-2-methyl-
CAS No: 19017-52-8 Catalog No: AG002EDF MDL No:MFCD00152035
Product Description
Catalog Number:
AG002EDF
Chemical Name:
1H-Indole-3-acetic acid, 5-chloro-2-methyl-
CAS Number:
19017-52-8
Molecular Formula:
C11H10ClNO2
Molecular Weight:
223.6556
MDL Number:
MFCD00152035
IUPAC Name:
2-(5-chloro-2-methyl-1H-indol-3-yl)acetic acid
InChI:
InChI=1S/C11H10ClNO2/c1-6-8(5-11(14)15)9-4-7(12)2-3-10(9)13-6/h2-4,13H,5H2,1H3,(H,14,15)
InChI Key:
OAIODEZFMSXHFQ-UHFFFAOYSA-N
SMILES:
Cc1c(CC(=O)O)c2c([nH]1)ccc(c2)Cl
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.04g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
223.656g/mol
Monoisotopic Mass:
223.04g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
53.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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