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Home > Bromides > 1365272-70-3
1365272-70-3 | 1H-Benzotriazole, 5-bromo-6-fluoro-1-(phenylmethyl)-
CAS No: 1365272-70-3 Catalog No: AG001213 MDL No:MFCD21609572
Product Description
Catalog Number:
AG001213
Chemical Name:
1H-Benzotriazole, 5-bromo-6-fluoro-1-(phenylmethyl)-
CAS Number:
1365272-70-3
Molecular Formula:
C13H9BrFN3
Molecular Weight:
306.1331
MDL Number:
MFCD21609572
IUPAC Name:
1-benzyl-5-bromo-6-fluorobenzotriazole
InChI:
InChI=1S/C13H9BrFN3/c14-10-6-12-13(7-11(10)15)18(17-16-12)8-9-4-2-1-3-5-9/h1-7H,8H2
InChI Key:
JTZWFCMDDNXPTP-UHFFFAOYSA-N
SMILES:
Brc1cc2nnn(c2cc1F)Cc1ccccc1
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.996g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
306.138g/mol
Monoisotopic Mass:
304.996g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
30.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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