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Home > Bromides > 1799792-00-9
1799792-00-9 | 1H-Pyrazole, 4-bromo-1-[(methylsulfonyl)methyl]-
CAS No: 1799792-00-9 Catalog No: AG0021JE MDL No:
Product Description
Catalog Number:
AG0021JE
Chemical Name:
1H-Pyrazole, 4-bromo-1-[(methylsulfonyl)methyl]-
CAS Number:
1799792-00-9
Molecular Formula:
C5H7BrN2O2S
Molecular Weight:
239.0903
IUPAC Name:
4-bromo-1-(methylsulfonylmethyl)pyrazole
InChI:
InChI=1S/C5H7BrN2O2S/c1-11(9,10)4-8-3-5(6)2-7-8/h2-3H,4H2,1H3
InChI Key:
XMUJWTPEILUXSF-UHFFFAOYSA-N
SMILES:
Brc1cnn(c1)CS(=O)(=O)C
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.941g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
239.087g/mol
Monoisotopic Mass:
237.941g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
60.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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