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Home > Bromides > 1365271-72-2
1365271-72-2 | 1H-Benzotriazole, 5-bromo-1-ethyl-6-fluoro-
CAS No: 1365271-72-2 Catalog No: AG0011YY MDL No:MFCD21609509
Product Description
Catalog Number:
AG0011YY
Chemical Name:
1H-Benzotriazole, 5-bromo-1-ethyl-6-fluoro-
CAS Number:
1365271-72-2
Molecular Formula:
C8H7BrFN3
Molecular Weight:
244.0637
MDL Number:
MFCD21609509
IUPAC Name:
5-bromo-1-ethyl-6-fluorobenzotriazole
InChI:
InChI=1S/C8H7BrFN3/c1-2-13-8-4-6(10)5(9)3-7(8)11-12-13/h3-4H,2H2,1H3
InChI Key:
GUHUOBOWMKHRIR-UHFFFAOYSA-N
SMILES:
CCn1nnc2c1cc(F)c(c2)Br
Properties
Complexity:
192
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.981g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
244.067g/mol
Monoisotopic Mass:
242.981g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
30.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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