Home Other Building Blocks 4-CHLORO-1-ETHYL-1H-PYRAZOLE-3-CARBOXYLIC ACID

4-CHLORO-1-ETHYL-1H-PYRAZOLE-3-CARBOXYLIC ACID

CAS No.:
512810-20-7
Catalog Number:
AG00DFWZ
Molecular Formula:
C6H7ClN2O2
Molecular Weight:
174.5850
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Product Description
Catalog Number:
AG00DFWZ
Chemical Name:
4-CHLORO-1-ETHYL-1H-PYRAZOLE-3-CARBOXYLIC ACID
CAS Number:
512810-20-7
Molecular Formula:
C6H7ClN2O2
Molecular Weight:
174.5850
MDL Number:
MFCD08436617
IUPAC Name:
4-chloro-1-ethylpyrazole-3-carboxylic acid
InChI:
InChI=1S/C6H7ClN2O2/c1-2-9-3-4(7)5(8-9)6(10)11/h3H,2H2,1H3,(H,10,11)
InChI Key:
ABUPYBBLLDSUMF-UHFFFAOYSA-N
SMILES:
CCn1cc(c(n1)C(=O)O)Cl
Properties
Complexity:
165  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.02g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
174.584g/mol
Monoisotopic Mass:
174.02g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties