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1000342-60-8 | 1H-Indazole-4-carbonitrile, 6-bromo-3-iodo-
CAS No: 1000342-60-8 Catalog No: AG0000JB MDL No:
Product Description
Catalog Number:
AG0000JB
Chemical Name:
1H-Indazole-4-carbonitrile, 6-bromo-3-iodo-
CAS Number:
1000342-60-8
Molecular Formula:
C8H3BrIN3
Molecular Weight:
347.9380
IUPAC Name:
6-bromo-3-iodo-2H-indazole-4-carbonitrile
InChI:
InChI=1S/C8H3BrIN3/c9-5-1-4(3-11)7-6(2-5)12-13-8(7)10/h1-2H,(H,12,13)
InChI Key:
SBDYXMYGJRVQEE-UHFFFAOYSA-N
SMILES:
N#Cc1cc(Br)cc2c1c(I)n[nH]2
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
346.856g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
347.941g/mol
Monoisotopic Mass:
346.856g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
52.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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