Home Halogens 2-bromo-1-(1-methyl-1H-pyrazol-4-yl)ethan-1-one hydrobromide

2-bromo-1-(1-methyl-1H-pyrazol-4-yl)ethan-1-one hydrobromide

CAS No.:
1252185-47-9
Catalog Number:
AG01A9WP
Molecular Formula:
C6H8Br2N2O
Molecular Weight:
283.9485
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Product Description
Catalog Number:
AG01A9WP
Chemical Name:
2-bromo-1-(1-methyl-1H-pyrazol-4-yl)ethan-1-one hydrobromide
CAS Number:
1252185-47-9
Molecular Formula:
C6H8Br2N2O
Molecular Weight:
283.9485
MDL Number:
MFCD21602404
IUPAC Name:
2-bromo-1-(1-methylpyrazol-4-yl)ethanone;hydrobromide
InChI:
InChI=1S/C6H7BrN2O.BrH/c1-9-4-5(3-8-9)6(10)2-7;/h3-4H,2H2,1H3;1H
InChI Key:
IZURTEFMHTXRFP-UHFFFAOYSA-N
SMILES:
BrCC(=O)c1cnn(c1)C.Br
Properties
Complexity:
140  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.898g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
283.951g/mol
Monoisotopic Mass:
281.9g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties