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875577-71-2 | 1H-Indazole-3-carboxylic acid, 1-[1-(2,4-dichlorophenyl)ethyl]-
CAS No: 875577-71-2 Catalog No: AG004JB5 MDL No:
Product Description
Catalog Number:
AG004JB5
Chemical Name:
1H-Indazole-3-carboxylic acid, 1-[1-(2,4-dichlorophenyl)ethyl]-
CAS Number:
875577-71-2
Molecular Formula:
C16H12Cl2N2O2
Molecular Weight:
335.1847
IUPAC Name:
1-[1-(2,4-dichlorophenyl)ethyl]indazole-3-carboxylic acid
InChI:
InChI=1S/C16H12Cl2N2O2/c1-9(11-7-6-10(17)8-13(11)18)20-14-5-3-2-4-12(14)15(19-20)16(21)22/h2-9H,1H3,(H,21,22)
InChI Key:
RQGZPGWKKBDKIE-UHFFFAOYSA-N
SMILES:
Clc1ccc(c(c1)Cl)C(n1nc(c2c1cccc2)C(=O)O)C
Properties
Complexity:
423
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
334.028g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
335.184g/mol
Monoisotopic Mass:
334.028g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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