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Home > Bromides > 1242336-69-1
1242336-69-1 | 1H-Benzotriazole, 6-bromo-5-fluoro-
CAS No: 1242336-69-1 Catalog No: AG000LQ9 MDL No:MFCD16660325
Product Description
Catalog Number:
AG000LQ9
Chemical Name:
1H-Benzotriazole, 6-bromo-5-fluoro-
CAS Number:
1242336-69-1
Molecular Formula:
C6H3BrFN3
Molecular Weight:
216.0105
MDL Number:
MFCD16660325
IUPAC Name:
5-bromo-6-fluoro-2H-benzotriazole
InChI:
InChI=1S/C6H3BrFN3/c7-3-1-5-6(2-4(3)8)10-11-9-5/h1-2H,(H,9,10,11)
InChI Key:
NUEVTPILLAGWMY-UHFFFAOYSA-N
SMILES:
Brc1cc2[nH]nnc2cc1F
Properties
Complexity:
157
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.949g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
216.013g/mol
Monoisotopic Mass:
214.949g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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