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197584-45-5 | 3H-Indazol-3-one, 5-amino-1-[(4-chlorophenyl)methyl]-1,2-dihydro-
CAS No: 197584-45-5 Catalog No: AG002AWB MDL No:
Product Description
Catalog Number:
AG002AWB
Chemical Name:
3H-Indazol-3-one, 5-amino-1-[(4-chlorophenyl)methyl]-1,2-dihydro-
CAS Number:
197584-45-5
Molecular Formula:
C14H12ClN3O
Molecular Weight:
273.7176
IUPAC Name:
5-amino-1-[(4-chlorophenyl)methyl]-2H-indazol-3-one
InChI:
InChI=1S/C14H12ClN3O/c15-10-3-1-9(2-4-10)8-18-13-6-5-11(16)7-12(13)14(19)17-18/h1-7H,8,16H2,(H,17,19)
InChI Key:
BNYAQKOCSLZMMN-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)Cn1[nH]c(=O)c2c1ccc(c2)N
Properties
Complexity:
344
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.067g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
273.72g/mol
Monoisotopic Mass:
273.067g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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