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1823338-27-7

1823338-27-7 | 2H-Indazole, 4-bromo-3-(methylsulfonyl)-

CAS No: 1823338-27-7 Catalog No: AG0023NE MDL No:

Product Description

Catalog Number:
AG0023NE
Chemical Name:
2H-Indazole, 4-bromo-3-(methylsulfonyl)-
CAS Number:
1823338-27-7
Molecular Formula:
C8H7BrN2O2S
Molecular Weight:
275.1224
IUPAC Name:
4-bromo-3-methylsulfonyl-2H-indazole
InChI:
InChI=1S/C8H7BrN2O2S/c1-14(12,13)8-7-5(9)3-2-4-6(7)10-11-8/h2-4H,1H3,(H,10,11)
InChI Key:
FCXXNIPRGFTCFZ-UHFFFAOYSA-N
SMILES:
Brc1cccc2c1c([nH]n2)S(=O)(=O)C

Properties

Complexity:
314  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.941g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
275.12g/mol
Monoisotopic Mass:
273.941g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
71.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  

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