Home Halogens ethyl 2-amino-4-chloro-1H-imidazole-5-carboxylate

ethyl 2-amino-4-chloro-1H-imidazole-5-carboxylate

CAS No.:
2091036-90-5
Catalog Number:
AG01BU9O
Molecular Formula:
C6H8ClN3O2
Molecular Weight:
189.5996
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Product Description
Catalog Number:
AG01BU9O
Chemical Name:
ethyl 2-amino-4-chloro-1H-imidazole-5-carboxylate
CAS Number:
2091036-90-5
Molecular Formula:
C6H8ClN3O2
Molecular Weight:
189.5996
MDL Number:
MFCD31380946
IUPAC Name:
ethyl 2-amino-5-chloro-1H-imidazole-4-carboxylate
InChI:
InChI=1S/C6H8ClN3O2/c1-2-12-5(11)3-4(7)10-6(8)9-3/h2H2,1H3,(H3,8,9,10)
InChI Key:
HLQWHUMJTWBQEH-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1c(Cl)nc([nH]1)N
Properties
Complexity:
178  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.031g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
189.599g/mol
Monoisotopic Mass:
189.031g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
81A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties