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132004-39-8 | 1h-indole-3-acetic acid, 2-carboxy-6-chloro-
CAS No: 132004-39-8 Catalog No: AG00102Y MDL No:
Product Description
Catalog Number:
AG00102Y
Chemical Name:
1h-indole-3-acetic acid, 2-carboxy-6-chloro-
CAS Number:
132004-39-8
Molecular Formula:
C11H8ClNO4
Molecular Weight:
253.6385
IUPAC Name:
3-(carboxymethyl)-6-chloro-1H-indole-2-carboxylic acid
InChI:
InChI=1S/C11H8ClNO4/c12-5-1-2-6-7(4-9(14)15)10(11(16)17)13-8(6)3-5/h1-3,13H,4H2,(H,14,15)(H,16,17)
InChI Key:
GTVJSFUJLMFZCQ-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1c([nH]c2c1ccc(c2)Cl)C(=O)O
Properties
Complexity:
335
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.014g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
253.638g/mol
Monoisotopic Mass:
253.014g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
90.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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