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918350-01-3 | 1H-Imidazole-4-carboxylic acid, 1-(4-bromophenyl)-2-(2-chlorophenyl)-
CAS No: 918350-01-3 Catalog No: AG006G4B MDL No:
Product Description
Catalog Number:
AG006G4B
Chemical Name:
1H-Imidazole-4-carboxylic acid, 1-(4-bromophenyl)-2-(2-chlorophenyl)-
CAS Number:
918350-01-3
Molecular Formula:
C16H10BrClN2O2
Molecular Weight:
377.6198
IUPAC Name:
1-(4-bromophenyl)-2-(2-chlorophenyl)imidazole-4-carboxylic acid
InChI:
InChI=1S/C16H10BrClN2O2/c17-10-5-7-11(8-6-10)20-9-14(16(21)22)19-15(20)12-3-1-2-4-13(12)18/h1-9H,(H,21,22)
InChI Key:
RWIMNJDRQNSHOM-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)n1cc(nc1c1ccccc1Cl)C(=O)O
Properties
Complexity:
404
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
375.961g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
377.622g/mol
Monoisotopic Mass:
375.961g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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