Home Halogens 4-[(4-chloro-1H-pyrazol-1-yl)methyl]benzoic acid

4-[(4-chloro-1H-pyrazol-1-yl)methyl]benzoic acid

CAS No.:
676348-41-7
Catalog Number:
AG00JB75
Molecular Formula:
C11H9ClN2O2
Molecular Weight:
236.6544
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Product Description
Catalog Number:
AG00JB75
Chemical Name:
4-[(4-chloro-1H-pyrazol-1-yl)methyl]benzoic acid
CAS Number:
676348-41-7
Molecular Formula:
C11H9ClN2O2
Molecular Weight:
236.6544
MDL Number:
MFCD01855379
IUPAC Name:
4-[(4-chloropyrazol-1-yl)methyl]benzoic acid
InChI:
InChI=1S/C11H9ClN2O2/c12-10-5-13-14(7-10)6-8-1-3-9(4-2-8)11(15)16/h1-5,7H,6H2,(H,15,16)
InChI Key:
UGZUJTGYNFLQEC-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)Cn1ncc(c1)Cl
Properties
Complexity:
254  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.035g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
236.655g/mol
Monoisotopic Mass:
236.035g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Literature
Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties