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88933-99-7 | 1H-Imidazole-4-carboxamide, N-[(2,4-dichlorophenyl)methyl]-5-methyl-
CAS No: 88933-99-7 Catalog No: AG008A13 MDL No:
Product Description
Catalog Number:
AG008A13
Chemical Name:
1H-Imidazole-4-carboxamide, N-[(2,4-dichlorophenyl)methyl]-5-methyl-
CAS Number:
88933-99-7
Molecular Formula:
C12H11Cl2N3O
Molecular Weight:
284.1412
IUPAC Name:
N-[(2,4-dichlorophenyl)methyl]-5-methyl-1H-imidazole-4-carboxamide
InChI:
InChI=1S/C12H11Cl2N3O/c1-7-11(17-6-16-7)12(18)15-5-8-2-3-9(13)4-10(8)14/h2-4,6H,5H2,1H3,(H,15,18)(H,16,17)
InChI Key:
KDNMPAXVGHILPO-UHFFFAOYSA-N
SMILES:
Clc1ccc(c(c1)Cl)CNC(=O)c1nc[nH]c1C
Properties
Complexity:
303
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.028g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
284.14g/mol
Monoisotopic Mass:
283.028g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
57.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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