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1000342-70-0 | 1H-Indazol-4-amine, 6-bromo-3-iodo-
CAS No: 1000342-70-0 Catalog No: AG0000KF MDL No:
Product Description
Catalog Number:
AG0000KF
Chemical Name:
1H-Indazol-4-amine, 6-bromo-3-iodo-
CAS Number:
1000342-70-0
Molecular Formula:
C7H5BrIN3
Molecular Weight:
337.9432
IUPAC Name:
6-bromo-3-iodo-2H-indazol-4-amine
InChI:
InChI=1S/C7H5BrIN3/c8-3-1-4(10)6-5(2-3)11-12-7(6)9/h1-2H,10H2,(H,11,12)
InChI Key:
VFOGKUSPCFGRSB-UHFFFAOYSA-N
SMILES:
Brc1cc(N)c2c(c1)[nH]nc2I
Properties
Complexity:
180
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
336.871g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
337.946g/mol
Monoisotopic Mass:
336.871g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
54.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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