Home Halogens 4-chloro-1-propyl-1H-pyrazole-3-carboxylic acid

4-chloro-1-propyl-1H-pyrazole-3-carboxylic acid

CAS No.:
957242-29-4
Catalog Number:
AG00JEQ1
Molecular Formula:
C7H9ClN2O2
Molecular Weight:
188.6116
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Product Description
Catalog Number:
AG00JEQ1
Chemical Name:
4-chloro-1-propyl-1H-pyrazole-3-carboxylic acid
CAS Number:
957242-29-4
Molecular Formula:
C7H9ClN2O2
Molecular Weight:
188.6116
MDL Number:
MFCD00098718
IUPAC Name:
4-chloro-1-propylpyrazole-3-carboxylic acid
InChI:
InChI=1S/C7H9ClN2O2/c1-2-3-10-4-5(8)6(9-10)7(11)12/h4H,2-3H2,1H3,(H,11,12)
InChI Key:
GOCIYBNXHSTMPU-UHFFFAOYSA-N
SMILES:
CCCn1cc(c(n1)C(=O)O)Cl
Properties
Complexity:
177  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.035g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
188.611g/mol
Monoisotopic Mass:
188.035g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties