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1000574-12-8 | 1-(4-Bromophenyl)-2,5-dihydro-5-oxo-1H-1,2,4-triazole-3-carboxylic acid dimethylamide
CAS No: 1000574-12-8 Catalog No: AG01EQJ6 MDL No:
Product Description
Catalog Number:
AG01EQJ6
Chemical Name:
1-(4-Bromophenyl)-2,5-dihydro-5-oxo-1H-1,2,4-triazole-3-carboxylic acid dimethylamide
CAS Number:
1000574-12-8
Molecular Formula:
C11H11BrN4O2
Molecular Weight:
311.1346
IUPAC Name:
1-(4-bromophenyl)-N,N-dimethyl-5-oxo-4H-1,2,4-triazole-3-carboxamide
InChI:
InChI=1S/C11H11BrN4O2/c1-15(2)10(17)9-13-11(18)16(14-9)8-5-3-7(12)4-6-8/h3-6H,1-2H3,(H,13,14,18)
InChI Key:
FBZFVNDFWSPGFE-UHFFFAOYSA-N
SMILES:
CN(C(=O)c1[nH]c(=O)n(n1)c1ccc(cc1)Br)C
Properties
Complexity:
389
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.007g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
311.139g/mol
Monoisotopic Mass:
310.007g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
65A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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