Home Halogens 2-bromo-1-(1,3-dimethyl-1H-pyrazol-4-yl)ethan-1-one hydrobromide

2-bromo-1-(1,3-dimethyl-1H-pyrazol-4-yl)ethan-1-one hydrobromide

CAS No.:
1311317-12-0
Catalog Number:
AG01AHAC
Molecular Formula:
C7H10Br2N2O
Molecular Weight:
297.9751
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Product Description
Catalog Number:
AG01AHAC
Chemical Name:
2-bromo-1-(1,3-dimethyl-1H-pyrazol-4-yl)ethan-1-one hydrobromide
CAS Number:
1311317-12-0
Molecular Formula:
C7H10Br2N2O
Molecular Weight:
297.9751
MDL Number:
MFCD18483263
IUPAC Name:
2-bromo-1-(1,3-dimethylpyrazol-4-yl)ethanone;hydrobromide
InChI:
InChI=1S/C7H9BrN2O.BrH/c1-5-6(7(11)3-8)4-10(2)9-5;/h4H,3H2,1-2H3;1H
InChI Key:
MORURTNWJHRRPQ-UHFFFAOYSA-N
SMILES:
Cc1nn(cc1C(=O)CBr)C.Br
Properties
Complexity:
163  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.914g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
297.978g/mol
Monoisotopic Mass:
295.916g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties