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25177-67-7 | 1H-Indole-3-acetic acid, 5,7-dichloro-2-methyl-
CAS No: 25177-67-7 Catalog No: AG002QRK MDL No:
Product Description
Catalog Number:
AG002QRK
Chemical Name:
1H-Indole-3-acetic acid, 5,7-dichloro-2-methyl-
CAS Number:
25177-67-7
Molecular Formula:
C11H9Cl2NO2
Molecular Weight:
258.1007
IUPAC Name:
2-(5,7-dichloro-2-methyl-1H-indol-3-yl)acetic acid
InChI:
InChI=1S/C11H9Cl2NO2/c1-5-7(4-10(15)16)8-2-6(12)3-9(13)11(8)14-5/h2-3,14H,4H2,1H3,(H,15,16)
InChI Key:
ZKKSIOCGHSBYSF-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1c(C)[nH]c2c1cc(Cl)cc2Cl
Properties
Complexity:
287
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.001g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
258.098g/mol
Monoisotopic Mass:
257.001g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
53.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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