Home Halogens 1-(2-chlorophenyl)-1H-pyrazole-3-carboxylic acid

1-(2-chlorophenyl)-1H-pyrazole-3-carboxylic acid

CAS No.:
1152533-76-0
Catalog Number:
AG01A86D
Molecular Formula:
C10H7ClN2O2
Molecular Weight:
222.6278
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Product Description
Catalog Number:
AG01A86D
Chemical Name:
1-(2-chlorophenyl)-1H-pyrazole-3-carboxylic acid
CAS Number:
1152533-76-0
Molecular Formula:
C10H7ClN2O2
Molecular Weight:
222.6278
IUPAC Name:
1-(2-chlorophenyl)pyrazole-3-carboxylic acid
InChI:
InChI=1S/C10H7ClN2O2/c11-7-3-1-2-4-9(7)13-6-5-8(12-13)10(14)15/h1-6H,(H,14,15)
InChI Key:
XVUVNZVHZHYLFI-UHFFFAOYSA-N
SMILES:
Clc1ccccc1n1ccc(n1)C(=O)O
Properties
Complexity:
250  
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