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114067-90-2 | 1H-Imidazole-4-carboxylic acid, 1-(3-chlorophenyl)-, ethyl ester
CAS No: 114067-90-2 Catalog No: AG000AH3 MDL No:
Product Description
Catalog Number:
AG000AH3
Chemical Name:
1H-Imidazole-4-carboxylic acid, 1-(3-chlorophenyl)-, ethyl ester
CAS Number:
114067-90-2
Molecular Formula:
C12H11ClN2O2
Molecular Weight:
250.6809
IUPAC Name:
ethyl 1-(3-chlorophenyl)imidazole-4-carboxylate
InChI:
InChI=1S/C12H11ClN2O2/c1-2-17-12(16)11-7-15(8-14-11)10-5-3-4-9(13)6-10/h3-8H,2H2,1H3
InChI Key:
KKLHOTXCPBDONS-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ncn(c1)c1cccc(c1)Cl
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.051g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.682g/mol
Monoisotopic Mass:
250.051g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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