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1000342-67-5 | 1H-Indazole-4-carbonitrile, 3,6-dibromo-
CAS No: 1000342-67-5 Catalog No: AG0000KI MDL No:
Product Description
Catalog Number:
AG0000KI
Chemical Name:
1H-Indazole-4-carbonitrile, 3,6-dibromo-
CAS Number:
1000342-67-5
Molecular Formula:
C8H3Br2N3
Molecular Weight:
300.9375
IUPAC Name:
3,6-dibromo-2H-indazole-4-carbonitrile
InChI:
InChI=1S/C8H3Br2N3/c9-5-1-4(3-11)7-6(2-5)12-13-8(7)10/h1-2H,(H,12,13)
InChI Key:
YIQRVLQAWVCMLO-UHFFFAOYSA-N
SMILES:
N#Cc1cc(Br)cc2c1c(Br)n[nH]2
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.867g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
300.941g/mol
Monoisotopic Mass:
298.869g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
52.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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