Home Carboxys 1-(4-Chlorophenyl)pyrazole-3-carboxylicAcid

1-(4-Chlorophenyl)pyrazole-3-carboxylicAcid

CAS No.:
19532-40-2
Catalog Number:
AG01A2U3
Molecular Formula:
C10H7ClN2O2
Molecular Weight:
222.6278
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Product Description
Catalog Number:
AG01A2U3
Chemical Name:
1-(4-Chlorophenyl)pyrazole-3-carboxylicAcid
CAS Number:
19532-40-2
Molecular Formula:
C10H7ClN2O2
Molecular Weight:
222.6278
MDL Number:
MFCD10689377
IUPAC Name:
1-(4-chlorophenyl)pyrazole-3-carboxylic acid
InChI:
InChI=1S/C10H7ClN2O2/c11-7-1-3-8(4-2-7)13-6-5-9(12-13)10(14)15/h1-6H,(H,14,15)
InChI Key:
DMRHUSUJIBVOKA-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)n1ccc(n1)C(=O)O
Properties
Complexity:
242  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.02g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
222.628g/mol
Monoisotopic Mass:
222.02g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties