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725743-28-2 | 2-(2-CHLOROPHENYL)-5-METHYL- 1H-IMIDAZOLE-4-CARBOXYLIC ACID
CAS No: 725743-28-2 Catalog No: AG005FY9 MDL No:
Product Description
Catalog Number:
AG005FY9
Chemical Name:
2-(2-CHLOROPHENYL)-5-METHYL- 1H-IMIDAZOLE-4-CARBOXYLIC ACID
CAS Number:
725743-28-2
Molecular Formula:
C11H9ClN2O2
Molecular Weight:
236.6544
IUPAC Name:
2-(2-chlorophenyl)-5-methyl-1H-imidazole-4-carboxylic acid
InChI:
InChI=1S/C11H9ClN2O2/c1-6-9(11(15)16)14-10(13-6)7-4-2-3-5-8(7)12/h2-5H,1H3,(H,13,14)(H,15,16)
InChI Key:
RCYCMMDFMRIOIX-UHFFFAOYSA-N
SMILES:
Clc1ccccc1c1nc(c([nH]1)C)C(=O)O
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.035g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
236.655g/mol
Monoisotopic Mass:
236.035g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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