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Home Other Building Blocks 2-phenyl-4,5,6,7-tetrahydro-1H-indazol-3(2H)-one

2-phenyl-4,5,6,7-tetrahydro-1H-indazol-3(2H)-one

CAS No.:
62221-94-7
Catalog Number:
AG01C0KE
Molecular Formula:
C13H14N2O
Molecular Weight:
214.2631
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Product Description
Catalog Number:
AG01C0KE
Chemical Name:
2-phenyl-4,5,6,7-tetrahydro-1H-indazol-3(2H)-one
CAS Number:
62221-94-7
Molecular Formula:
C13H14N2O
Molecular Weight:
214.2631
MDL Number:
MFCD00547704
IUPAC Name:
2-phenyl-4,5,6,7-tetrahydro-1H-indazol-3-one
InChI:
InChI=1S/C13H14N2O/c16-13-11-8-4-5-9-12(11)14-15(13)10-6-2-1-3-7-10/h1-3,6-7,14H,4-5,8-9H2
InChI Key:
AEFGPGXDVZJXEM-UHFFFAOYSA-N
SMILES:
O=c1c2CCCCc2[nH]n1c1ccccc1
Properties
Complexity:
329  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.111g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
214.268g/mol
Monoisotopic Mass:
214.111g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties