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1420981-12-9 | Ethanone, 2-bromo-1-(1,5-dimethyl-1H-pyrazol-3-yl)-
CAS No: 1420981-12-9 Catalog No: AG001HRV MDL No:
Product Description
Catalog Number:
AG001HRV
Chemical Name:
Ethanone, 2-bromo-1-(1,5-dimethyl-1H-pyrazol-3-yl)-
CAS Number:
1420981-12-9
Molecular Formula:
C7H9BrN2O
Molecular Weight:
217.0632
IUPAC Name:
2-bromo-1-(1,5-dimethylpyrazol-3-yl)ethanone
InChI:
InChI=1S/C7H9BrN2O/c1-5-3-6(7(11)4-8)9-10(5)2/h3H,4H2,1-2H3
InChI Key:
UFWFRCVUBHLVSP-UHFFFAOYSA-N
SMILES:
BrCC(=O)c1nn(c(c1)C)C
Properties
Complexity:
163
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.99g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
217.066g/mol
Monoisotopic Mass:
215.99g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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