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130874-32-7 | 1H-Pyrazole, 4-bromo-3,5-dimethyl-1-(phenylsulfonyl)-
CAS No: 130874-32-7 Catalog No: AG000V1L MDL No:MFCD07063923
Product Description
Catalog Number:
AG000V1L
Chemical Name:
1H-Pyrazole, 4-bromo-3,5-dimethyl-1-(phenylsulfonyl)-
CAS Number:
130874-32-7
Molecular Formula:
C11H11BrN2O2S
Molecular Weight:
315.1862
MDL Number:
MFCD07063923
IUPAC Name:
1-(benzenesulfonyl)-4-bromo-3,5-dimethylpyrazole
InChI:
InChI=1S/C11H11BrN2O2S/c1-8-11(12)9(2)14(13-8)17(15,16)10-6-4-3-5-7-10/h3-7H,1-2H3
InChI Key:
ZIUFRYBNFVJNFI-UHFFFAOYSA-N
SMILES:
Cc1nn(c(c1Br)C)S(=O)(=O)c1ccccc1
Properties
Complexity:
362
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.972g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
315.185g/mol
Monoisotopic Mass:
313.972g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
60.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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