Home Other Building Blocks ETHYL 4-(CHLOROMETHYL)-1H-PYRAZOLE-5-CARBOXYLATE

ETHYL 4-(CHLOROMETHYL)-1H-PYRAZOLE-5-CARBOXYLATE

CAS No.:
2089728-91-4
Catalog Number:
AG01ELT6
Molecular Formula:
C7H9ClN2O2
Molecular Weight:
188.6116
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Product Description
Catalog Number:
AG01ELT6
Chemical Name:
ETHYL 4-(CHLOROMETHYL)-1H-PYRAZOLE-5-CARBOXYLATE
CAS Number:
2089728-91-4
Molecular Formula:
C7H9ClN2O2
Molecular Weight:
188.6116
MDL Number:
MFCD26939134
IUPAC Name:
ethyl 4-(chloromethyl)-1H-pyrazole-5-carboxylate
InChI:
InChI=1S/C7H9ClN2O2/c1-2-12-7(11)6-5(3-8)4-9-10-6/h4H,2-3H2,1H3,(H,9,10)
InChI Key:
HAWJYSRDOVLRPN-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1[nH]ncc1CCl
Properties
Complexity:
166  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.035g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
188.611g/mol
Monoisotopic Mass:
188.035g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties