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120118-14-1 | 1H-Imidazole-2-carbonitrile, 5-chloro-4-(4-methylphenyl)-
CAS No: 120118-14-1 Catalog No: AG000QC8 MDL No:MFCD29078450
Product Description
Catalog Number:
AG000QC8
Chemical Name:
1H-Imidazole-2-carbonitrile, 5-chloro-4-(4-methylphenyl)-
CAS Number:
120118-14-1
Molecular Formula:
C11H8ClN3
Molecular Weight:
217.6543
MDL Number:
MFCD29078450
IUPAC Name:
5-chloro-4-(4-methylphenyl)-1H-imidazole-2-carbonitrile
InChI:
InChI=1S/C11H8ClN3/c1-7-2-4-8(5-3-7)10-11(12)15-9(6-13)14-10/h2-5H,1H3,(H,14,15)
InChI Key:
AHLIZUWPYRQFHY-UHFFFAOYSA-N
SMILES:
N#Cc1nc(c([nH]1)Cl)c1ccc(cc1)C
EC Number:
601-672-3
UNII:
M8BF21M04D
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.041g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
217.656g/mol
Monoisotopic Mass:
217.041g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
52.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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