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

2-phenyl-4,5,6,7-tetrahydro-2H-indazol-4-one

CAS No.:
113502-44-6
Catalog Number:
AG01BGEI
Molecular Formula:
C13H12N2O
Molecular Weight:
212.2472
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Product Description
Catalog Number:
AG01BGEI
Chemical Name:
2-phenyl-4,5,6,7-tetrahydro-2H-indazol-4-one
CAS Number:
113502-44-6
Molecular Formula:
C13H12N2O
Molecular Weight:
212.2472
MDL Number:
MFCD16987703
IUPAC Name:
2-phenyl-6,7-dihydro-5H-indazol-4-one
InChI:
InChI=1S/C13H12N2O/c16-13-8-4-7-12-11(13)9-15(14-12)10-5-2-1-3-6-10/h1-3,5-6,9H,4,7-8H2
InChI Key:
ULXFYCXXERDSNV-UHFFFAOYSA-N
SMILES:
O=C1CCCc2c1cn(n2)c1ccccc1
Properties
Complexity:
273  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.095g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
212.252g/mol
Monoisotopic Mass:
212.095g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties