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1326895-34-4 | 3H-Indazol-3-one, 6-chloro-1-(1,1-dimethylethyl)-1,2-dihydro-
CAS No: 1326895-34-4 Catalog No: AG0010ZY MDL No:
Product Description
Catalog Number:
AG0010ZY
Chemical Name:
3H-Indazol-3-one, 6-chloro-1-(1,1-dimethylethyl)-1,2-dihydro-
CAS Number:
1326895-34-4
Molecular Formula:
C11H13ClN2O
Molecular Weight:
224.6867
IUPAC Name:
1-tert-butyl-6-chloro-2H-indazol-3-one
InChI:
InChI=1S/C11H13ClN2O/c1-11(2,3)14-9-6-7(12)4-5-8(9)10(15)13-14/h4-6H,1-3H3,(H,13,15)
InChI Key:
DRKYYPXQFJHCGT-UHFFFAOYSA-N
SMILES:
CC(n1[nH]c(=O)c2c1cc(Cl)cc2)(C)C
Properties
Complexity:
274
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.072g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
224.688g/mol
Monoisotopic Mass:
224.072g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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