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1000341-11-6

1000341-11-6 | 1H-Indazole, 3-bromo-5,7-dimethyl-

CAS No: 1000341-11-6 Catalog No: AG0000G2 MDL No:

Product Description

Catalog Number:
AG0000G2
Chemical Name:
1H-Indazole, 3-bromo-5,7-dimethyl-
CAS Number:
1000341-11-6
Molecular Formula:
C9H9BrN2
Molecular Weight:
225.0852
IUPAC Name:
3-bromo-5,7-dimethyl-2H-indazole
InChI:
InChI=1S/C9H9BrN2/c1-5-3-6(2)8-7(4-5)9(10)12-11-8/h3-4H,1-2H3,(H,11,12)
InChI Key:
FKEAUVOKAYEHIJ-UHFFFAOYSA-N
SMILES:
Cc1cc(C)c2c(c1)c(Br)n[nH]2

Properties

Complexity:
174  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.995g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
225.089g/mol
Monoisotopic Mass:
223.995g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  

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