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1381944-45-1 | 1H-Benzotriazole, 5-bromo-1-cyclopentyl-6-fluoro-
CAS No: 1381944-45-1 Catalog No: AG00186Z MDL No:MFCD22375037
Product Description
Catalog Number:
AG00186Z
Chemical Name:
1H-Benzotriazole, 5-bromo-1-cyclopentyl-6-fluoro-
CAS Number:
1381944-45-1
Molecular Formula:
C11H11BrFN3
Molecular Weight:
284.1275
MDL Number:
MFCD22375037
IUPAC Name:
5-bromo-1-cyclopentyl-6-fluorobenzotriazole
InChI:
InChI=1S/C11H11BrFN3/c12-8-5-10-11(6-9(8)13)16(15-14-10)7-3-1-2-4-7/h5-7H,1-4H2
InChI Key:
HCZVZONBBCIZSB-UHFFFAOYSA-N
SMILES:
Brc1cc2nnn(c2cc1F)C1CCCC1
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.012g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
284.132g/mol
Monoisotopic Mass:
283.012g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
30.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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