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Home > Bromides > 1365272-81-6
1365272-81-6 | 1H-Benzotriazole, 5-bromo-1-cyclohexyl-6-fluoro-
CAS No: 1365272-81-6 Catalog No: AG00120V MDL No:MFCD21609581
Product Description
Catalog Number:
AG00120V
Chemical Name:
1H-Benzotriazole, 5-bromo-1-cyclohexyl-6-fluoro-
CAS Number:
1365272-81-6
Molecular Formula:
C12H13BrFN3
Molecular Weight:
298.1541
MDL Number:
MFCD21609581
IUPAC Name:
5-bromo-1-cyclohexyl-6-fluorobenzotriazole
InChI:
InChI=1S/C12H13BrFN3/c13-9-6-11-12(7-10(9)14)17(16-15-11)8-4-2-1-3-5-8/h6-8H,1-5H2
InChI Key:
ROCPFPQTDWQLEE-UHFFFAOYSA-N
SMILES:
Fc1cc2n(nnc2cc1Br)C1CCCCC1
Properties
Complexity:
273
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.028g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
298.159g/mol
Monoisotopic Mass:
297.028g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
30.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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