Home Halogens (5-chloro-2-hydroxyphenyl)(1-phenyl-1H-pyrazol-4-yl)methanone

(5-chloro-2-hydroxyphenyl)(1-phenyl-1H-pyrazol-4-yl)methanone

CAS No.:
61466-46-4
Catalog Number:
AG01DWJE
Molecular Formula:
C16H11ClN2O2
Molecular Weight:
298.7237
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Product Description
Catalog Number:
AG01DWJE
Chemical Name:
(5-chloro-2-hydroxyphenyl)(1-phenyl-1H-pyrazol-4-yl)methanone
CAS Number:
61466-46-4
Molecular Formula:
C16H11ClN2O2
Molecular Weight:
298.7237
MDL Number:
MFCD02093264
IUPAC Name:
(5-chloro-2-hydroxyphenyl)-(1-phenylpyrazol-4-yl)methanone
InChI:
InChI=1S/C16H11ClN2O2/c17-12-6-7-15(20)14(8-12)16(21)11-9-18-19(10-11)13-4-2-1-3-5-13/h1-10,20H
InChI Key:
HEVRUKPQOSEFKD-UHFFFAOYSA-N
SMILES:
Clc1ccc(c(c1)C(=O)c1cnn(c1)c1ccccc1)O
Properties
Complexity:
373  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.051g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
298.726g/mol
Monoisotopic Mass:
298.051g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1  
Properties