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Home > Bromides > 1000342-57-3
1000342-57-3 | 1H-Indazole-6-carbonitrile, 4-bromo-3-chloro-
CAS No: 1000342-57-3 Catalog No: AG0000JD MDL No:
Product Description
Catalog Number:
AG0000JD
Chemical Name:
1H-Indazole-6-carbonitrile, 4-bromo-3-chloro-
CAS Number:
1000342-57-3
Molecular Formula:
C8H3BrClN3
Molecular Weight:
256.4865
IUPAC Name:
4-bromo-3-chloro-2H-indazole-6-carbonitrile
InChI:
InChI=1S/C8H3BrClN3/c9-5-1-4(3-11)2-6-7(5)8(10)13-12-6/h1-2H,(H,12,13)
InChI Key:
LNMNHKJZCMENNS-UHFFFAOYSA-N
SMILES:
N#Cc1cc(Br)c2c(c1)[nH]nc2Cl
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.92g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
256.487g/mol
Monoisotopic Mass:
254.92g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
52.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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