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Home Halogens ethyl 4-chloro-3-cyclopropyl-1H-pyrazole-5-carboxylate

ethyl 4-chloro-3-cyclopropyl-1H-pyrazole-5-carboxylate

CAS No.:
1310350-97-0
Catalog Number:
AG01B2OW
Molecular Formula:
C9H11ClN2O2
Molecular Weight:
214.6488
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Product Description
Catalog Number:
AG01B2OW
Chemical Name:
ethyl 4-chloro-3-cyclopropyl-1H-pyrazole-5-carboxylate
CAS Number:
1310350-97-0
Molecular Formula:
C9H11ClN2O2
Molecular Weight:
214.6488
MDL Number:
MFCD17193563
IUPAC Name:
ethyl 4-chloro-5-cyclopropyl-1H-pyrazole-3-carboxylate
InChI:
InChI=1S/C9H11ClN2O2/c1-2-14-9(13)8-6(10)7(11-12-8)5-3-4-5/h5H,2-4H2,1H3,(H,11,12)
InChI Key:
WCRFEGIUFISMLA-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1[nH]nc(c1Cl)C1CC1
Properties
Complexity:
233  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.051g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
214.649g/mol
Monoisotopic Mass:
214.051g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties