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Home Other Building Blocks 1-(4-Chlorophenyl)pyrazol-3(2h)-one

1-(4-Chlorophenyl)pyrazol-3(2h)-one

CAS No.:
76205-19-1
Catalog Number:
AG0035ZG
Molecular Formula:
C9H7ClN2O
Molecular Weight:
194.6177
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
95%
In Stock USA
United States
$13
- +
25g
95%
In Stock USA
United States
$25
- +
Product Description
Catalog Number:
AG0035ZG
Chemical Name:
1-(4-Chlorophenyl)pyrazol-3(2h)-one
CAS Number:
76205-19-1
Molecular Formula:
C9H7ClN2O
Molecular Weight:
194.6177
MDL Number:
MFCD08459260
IUPAC Name:
2-(4-chlorophenyl)-1H-pyrazol-5-one
InChI:
InChI=1S/C9H7ClN2O/c10-7-1-3-8(4-2-7)12-6-5-9(13)11-12/h1-6H,(H,11,13)
InChI Key:
DRENHOMDLNJDOG-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)n1ccc(n1)O
EC Number:
616-307-3
Properties
Complexity:
234  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.025g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
194.618g/mol
Monoisotopic Mass:
194.025g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Literature
Title Journal
1-(4-Chloro-phen-yl)-1H-pyrazol-3-ol. Acta crystallographica. Section E, Structure reports online 20100101
Properties