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88561-98-2 | 1H-Indazole-3-acetic acid, 1-benzoyl-5-chloro-, ethyl ester
CAS No: 88561-98-2 Catalog No: AG004DPX MDL No:
Product Description
Catalog Number:
AG004DPX
Chemical Name:
1H-Indazole-3-acetic acid, 1-benzoyl-5-chloro-, ethyl ester
CAS Number:
88561-98-2
Molecular Formula:
C18H15ClN2O3
Molecular Weight:
342.7763
IUPAC Name:
ethyl 2-(1-benzoyl-5-chloroindazol-3-yl)acetate
InChI:
InChI=1S/C18H15ClN2O3/c1-2-24-17(22)11-15-14-10-13(19)8-9-16(14)21(20-15)18(23)12-6-4-3-5-7-12/h3-10H,2,11H2,1H3
InChI Key:
RGJFSTALKNPHOE-UHFFFAOYSA-N
SMILES:
CCOC(=O)Cc1nn(c2c1cc(Cl)cc2)C(=O)c1ccccc1
Properties
Complexity:
467
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
342.077g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
342.779g/mol
Monoisotopic Mass:
342.077g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
61.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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