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Home > Bromides > 1000342-51-7
1000342-51-7 | 1H-Indazole, 6-bromo-3-iodo-5-methyl-
CAS No: 1000342-51-7 Catalog No: AG0000JI MDL No:
Product Description
Catalog Number:
AG0000JI
Chemical Name:
1H-Indazole, 6-bromo-3-iodo-5-methyl-
CAS Number:
1000342-51-7
Molecular Formula:
C8H6BrIN2
Molecular Weight:
336.9551
IUPAC Name:
6-bromo-3-iodo-5-methyl-2H-indazole
InChI:
InChI=1S/C8H6BrIN2/c1-4-2-5-7(3-6(4)9)11-12-8(5)10/h2-3H,1H3,(H,11,12)
InChI Key:
CCSXJBKFDISBPB-UHFFFAOYSA-N
SMILES:
Brc1cc2[nH]nc(c2cc1C)I
Properties
Complexity:
178
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
335.876g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
336.958g/mol
Monoisotopic Mass:
335.876g/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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