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1000342-54-0 | 1H-Indazole-6-carbonitrile, 3,4,5-tribromo-
CAS No: 1000342-54-0 Catalog No: AG0000JG MDL No:
Product Description
Catalog Number:
AG0000JG
Chemical Name:
1H-Indazole-6-carbonitrile, 3,4,5-tribromo-
CAS Number:
1000342-54-0
Molecular Formula:
C8H2Br3N3
Molecular Weight:
379.8336
IUPAC Name:
3,4,5-tribromo-2H-indazole-6-carbonitrile
InChI:
InChI=1S/C8H2Br3N3/c9-6-3(2-12)1-4-5(7(6)10)8(11)14-13-4/h1H,(H,13,14)
InChI Key:
UNPNXDZKEGMSIE-UHFFFAOYSA-N
SMILES:
N#Cc1cc2[nH]nc(c2c(c1Br)Br)Br
Properties
Complexity:
276
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
378.778g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
379.837g/mol
Monoisotopic Mass:
376.78g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
52.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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