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175137-67-4 | 1H-Imidazole-1-acetic acid, 4,5-dichloro-, ethyl ester
CAS No: 175137-67-4 Catalog No: AG0020CB MDL No:MFCD00052518
Product Description
Catalog Number:
AG0020CB
Chemical Name:
1H-Imidazole-1-acetic acid, 4,5-dichloro-, ethyl ester
CAS Number:
175137-67-4
Molecular Formula:
C7H8Cl2N2O2
Molecular Weight:
223.0566
MDL Number:
MFCD00052518
IUPAC Name:
ethyl 2-(4,5-dichloroimidazol-1-yl)acetate
InChI:
InChI=1S/C7H8Cl2N2O2/c1-2-13-5(12)3-11-4-10-6(8)7(11)9/h4H,2-3H2,1H3
InChI Key:
RFDHEBGHIJMRTI-UHFFFAOYSA-N
SMILES:
CCOC(=O)Cn1cnc(c1Cl)Cl
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.996g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
223.053g/mol
Monoisotopic Mass:
221.996g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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