sales@angenesci.com
Login | Register
logo
Structures Search
Home Halogens ethyl 3-(chloromethyl)-5-methyl-1H-pyrazole-4-carboxylate hydrochloride

ethyl 3-(chloromethyl)-5-methyl-1H-pyrazole-4-carboxylate hydrochloride

CAS No.:
863400-57-1
Catalog Number:
AG01BC19
Molecular Formula:
C8H12Cl2N2O2
Molecular Weight:
239.0991
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01BC19
Chemical Name:
ethyl 3-(chloromethyl)-5-methyl-1H-pyrazole-4-carboxylate hydrochloride
CAS Number:
863400-57-1
Molecular Formula:
C8H12Cl2N2O2
Molecular Weight:
239.0991
MDL Number:
MFCD28714673
IUPAC Name:
ethyl 3-(chloromethyl)-5-methyl-1H-pyrazole-4-carboxylate;hydrochloride
InChI:
InChI=1S/C8H11ClN2O2.ClH/c1-3-13-8(12)7-5(2)10-11-6(7)4-9;/h3-4H2,1-2H3,(H,10,11);1H
InChI Key:
LOMIGXIUTFJSRH-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1c(C)[nH]nc1CCl.Cl
Properties
Complexity:
189  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.028g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
239.096g/mol
Monoisotopic Mass:
238.028g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties