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85723-93-9 | Benzamide, N-(4-bromo-1,3-dimethyl-1H-pyrazol-5-yl)-
CAS No: 85723-93-9 Catalog No: AG004P9M MDL No:
Product Description
Catalog Number:
AG004P9M
Chemical Name:
Benzamide, N-(4-bromo-1,3-dimethyl-1H-pyrazol-5-yl)-
CAS Number:
85723-93-9
Molecular Formula:
C12H12BrN3O
Molecular Weight:
294.1472
IUPAC Name:
N-(4-bromo-2,5-dimethylpyrazol-3-yl)benzamide
InChI:
InChI=1S/C12H12BrN3O/c1-8-10(13)11(16(2)15-8)14-12(17)9-6-4-3-5-7-9/h3-7H,1-2H3,(H,14,17)
InChI Key:
PMMGHPJPQKROLX-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)Nc1n(C)nc(c1Br)C
Properties
Complexity:
281
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.016g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
294.152g/mol
Monoisotopic Mass:
293.016g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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