Home Other Building Blocks 2-(1H-pyrazol-1-ylmethyl)benzoic acid hydrochloride

2-(1H-pyrazol-1-ylmethyl)benzoic acid hydrochloride

CAS No.:
1333785-96-8
Catalog Number:
AG01AJZJ
Molecular Formula:
C11H11ClN2O2
Molecular Weight:
238.6702
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Product Description
Catalog Number:
AG01AJZJ
Chemical Name:
2-(1H-pyrazol-1-ylmethyl)benzoic acid hydrochloride
CAS Number:
1333785-96-8
Molecular Formula:
C11H11ClN2O2
Molecular Weight:
238.6702
MDL Number:
MFCD19982382
IUPAC Name:
2-(pyrazol-1-ylmethyl)benzoic acid;hydrochloride
InChI:
InChI=1S/C11H10N2O2.ClH/c14-11(15)10-5-2-1-4-9(10)8-13-7-3-6-12-13;/h1-7H,8H2,(H,14,15);1H
InChI Key:
OLAMXJSTLNIQLQ-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccccc1Cn1cccn1.Cl
Properties
Complexity:
233  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.051g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
238.671g/mol
Monoisotopic Mass:
238.051g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties