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1025-59-8 | 3H-Indazol-3-one, 1-[(3-chlorophenyl)methyl]-1,2-dihydro-
CAS No: 1025-59-8 Catalog No: AG0007LR MDL No:
Product Description
Catalog Number:
AG0007LR
Chemical Name:
3H-Indazol-3-one, 1-[(3-chlorophenyl)methyl]-1,2-dihydro-
CAS Number:
1025-59-8
Molecular Formula:
C14H11ClN2O
Molecular Weight:
258.7029
IUPAC Name:
1-[(3-chlorophenyl)methyl]-2H-indazol-3-one
InChI:
InChI=1S/C14H11ClN2O/c15-11-5-3-4-10(8-11)9-17-13-7-2-1-6-12(13)14(18)16-17/h1-8H,9H2,(H,16,18)
InChI Key:
ZRZSYDHZWHSHMQ-UHFFFAOYSA-N
SMILES:
Clc1cccc(c1)Cn1[nH]c(=O)c2c1cccc2
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.056g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
258.705g/mol
Monoisotopic Mass:
258.056g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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