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88569-29-3 | 1H-Indazole-3-acetic acid, 1-acetyl-5-chloro-, ethyl ester
CAS No: 88569-29-3 Catalog No: AG004BNF MDL No:
Product Description
Catalog Number:
AG004BNF
Chemical Name:
1H-Indazole-3-acetic acid, 1-acetyl-5-chloro-, ethyl ester
CAS Number:
88569-29-3
Molecular Formula:
C13H13ClN2O3
Molecular Weight:
280.7069
IUPAC Name:
ethyl 2-(1-acetyl-5-chloroindazol-3-yl)acetate
InChI:
InChI=1S/C13H13ClN2O3/c1-3-19-13(18)7-11-10-6-9(14)4-5-12(10)16(15-11)8(2)17/h4-6H,3,7H2,1-2H3
InChI Key:
JBGPIGJJJSJAHH-UHFFFAOYSA-N
SMILES:
CCOC(=O)Cc1nn(c2c1cc(Cl)cc2)C(=O)C
Properties
Complexity:
364
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.061g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
280.708g/mol
Monoisotopic Mass:
280.061g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
61.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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