Home Carboxys 1H-Pyrazole-4-carboxylic acid, methyl ester, hydrochloride (1:1)

1H-Pyrazole-4-carboxylic acid, methyl ester, hydrochloride (1:1)

CAS No.:
181997-36-4
Catalog Number:
AG00238P
Molecular Formula:
C5H7ClN2O2
Molecular Weight:
162.5743
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Product Description
Catalog Number:
AG00238P
Chemical Name:
1H-Pyrazole-4-carboxylic acid, methyl ester, hydrochloride (1:1)
CAS Number:
181997-36-4
Molecular Formula:
C5H7ClN2O2
Molecular Weight:
162.5743
MDL Number:
MFCD00297363
IUPAC Name:
methyl 1H-pyrazole-4-carboxylate;hydrochloride
InChI:
InChI=1S/C5H6N2O2.ClH/c1-9-5(8)4-2-6-7-3-4;/h2-3H,1H3,(H,6,7);1H
InChI Key:
AOJLCZLZCNUMAS-UHFFFAOYSA-N
SMILES:
COC(=O)c1c[nH]nc1.Cl
Properties
Complexity:
116  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.02g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
162.573g/mol
Monoisotopic Mass:
162.02g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties