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821016-50-6 | Methanone, [5-hydroxy-1-(phenylmethyl)-1H-pyrazol-4-yl]-2-thienyl-
CAS No: 821016-50-6 Catalog No: AG004WGT MDL No:
Product Description
Catalog Number:
AG004WGT
Chemical Name:
Methanone, [5-hydroxy-1-(phenylmethyl)-1H-pyrazol-4-yl]-2-thienyl-
CAS Number:
821016-50-6
Molecular Formula:
C15H12N2O2S
Molecular Weight:
284.3330
IUPAC Name:
2-benzyl-4-(thiophene-2-carbonyl)-1H-pyrazol-3-one
InChI:
InChI=1S/C15H12N2O2S/c18-14(13-7-4-8-20-13)12-9-16-17(15(12)19)10-11-5-2-1-3-6-11/h1-9,16H,10H2
InChI Key:
SHCQNSJNTHNGQS-UHFFFAOYSA-N
SMILES:
O=C(c1cnn(c1O)Cc1ccccc1)c1cccs1
Properties
Complexity:
430
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.062g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
284.333g/mol
Monoisotopic Mass:
284.062g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
77.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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