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89438-58-4 | 3H-Indazol-3-one, 2-butyl-6-chloro-1,2-dihydro-
CAS No: 89438-58-4 Catalog No: AG004415 MDL No:
Product Description
Catalog Number:
AG004415
Chemical Name:
3H-Indazol-3-one, 2-butyl-6-chloro-1,2-dihydro-
CAS Number:
89438-58-4
Molecular Formula:
C11H13ClN2O
Molecular Weight:
224.6867
IUPAC Name:
2-butyl-6-chloro-1H-indazol-3-one
InChI:
InChI=1S/C11H13ClN2O/c1-2-3-6-14-11(15)9-5-4-8(12)7-10(9)13-14/h4-5,7,13H,2-3,6H2,1H3
InChI Key:
WSFQALWBBIIXBU-UHFFFAOYSA-N
SMILES:
CCCCn1[nH]c2c(c1=O)ccc(c2)Cl
Properties
Complexity:
247
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:
3
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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