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138847-77-5 | 1H-Indole-2-carboxylic acid, 3-(benzoylamino)-4,6-dichloro-
CAS No: 138847-77-5 Catalog No: AG0019PB MDL No:
Product Description
Catalog Number:
AG0019PB
Chemical Name:
1H-Indole-2-carboxylic acid, 3-(benzoylamino)-4,6-dichloro-
CAS Number:
138847-77-5
Molecular Formula:
C16H10Cl2N2O3
Molecular Weight:
349.1682
IUPAC Name:
3-benzamido-4,6-dichloro-1H-indole-2-carboxylic acid
InChI:
InChI=1S/C16H10Cl2N2O3/c17-9-6-10(18)12-11(7-9)19-14(16(22)23)13(12)20-15(21)8-4-2-1-3-5-8/h1-7,19H,(H,20,21)(H,22,23)
InChI Key:
YAMLCRLUYWIFGV-UHFFFAOYSA-N
SMILES:
Clc1cc(Cl)c2c(c1)[nH]c(c2NC(=O)c1ccccc1)C(=O)O
Properties
Complexity:
470
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
348.007g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
349.167g/mol
Monoisotopic Mass:
348.007g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
82.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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