Home Carboxys 4-fluoro-5-methyl-1H-pyrazole-3-carboxylic acid hydrochloride

4-fluoro-5-methyl-1H-pyrazole-3-carboxylic acid hydrochloride

CAS No.:
1796890-17-9
Catalog Number:
AG01B19S
Molecular Formula:
C5H6ClFN2O2
Molecular Weight:
180.5647
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Product Description
Catalog Number:
AG01B19S
Chemical Name:
4-fluoro-5-methyl-1H-pyrazole-3-carboxylic acid hydrochloride
CAS Number:
1796890-17-9
Molecular Formula:
C5H6ClFN2O2
Molecular Weight:
180.5647
MDL Number:
MFCD27959515
IUPAC Name:
4-fluoro-5-methyl-1H-pyrazole-3-carboxylic acid;hydrochloride
InChI:
InChI=1S/C5H5FN2O2.ClH/c1-2-3(6)4(5(9)10)8-7-2;/h1H3,(H,7,8)(H,9,10);1H
InChI Key:
UOMWZCRGGRLWFF-UHFFFAOYSA-N
SMILES:
OC(=O)c1n[nH]c(c1F)C.Cl
Properties
Complexity:
153  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.01g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
180.563g/mol
Monoisotopic Mass:
180.01g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties