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Home > Bromides > 1262414-75-4
1262414-75-4 | 1H-Pyrazole-3-carboxamide, 4-bromo-5-methyl-1-(phenylmethyl)-
CAS No: 1262414-75-4 Catalog No: AG000SEV MDL No:MFCD19443340
Product Description
Catalog Number:
AG000SEV
Chemical Name:
1H-Pyrazole-3-carboxamide, 4-bromo-5-methyl-1-(phenylmethyl)-
CAS Number:
1262414-75-4
Molecular Formula:
C12H12BrN3O
Molecular Weight:
294.1472
MDL Number:
MFCD19443340
IUPAC Name:
1-benzyl-4-bromo-5-methylpyrazole-3-carboxamide
InChI:
InChI=1S/C12H12BrN3O/c1-8-10(13)11(12(14)17)15-16(8)7-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H2,14,17)
InChI Key:
PFAUJQSOBMUEFI-UHFFFAOYSA-N
SMILES:
NC(=O)c1nn(c(c1Br)C)Cc1ccccc1
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:
3
Topological Polar Surface Area:
60.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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