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(5S,7S)-2-bromo-7-fluoro-5-phenyl-5H,6H,7H-pyrrolo[1,2-b][1,2,4]triazole

(5S,7S)-2-bromo-7-fluoro-5-phenyl-5H,6H,7H-pyrrolo[1,2-b][1,2,4]triazole

CAS: 2268741-10-0

Formula: C11H9BrFN3

SMILES: F[C@H]1C[C@H](N2N=C(Br)N=C12)C1=CC=CC=C1

IUPAC: (5S,7S)-2-bromo-7-fluoro-5-phenyl-5H,6H,7H-pyrrolo[1,2-b][1,2,4]triazole

InChI: InChI=1S/C11H9BrFN3/c12-11-14-10-8(13)6-9(16(10)15-11)7-4-2-1-3-5-7/h1-5,8-9H,6H2/t8-,9-/m0/s1

Composition: C (46.83%), H (3.22%), Br (28.32%), F (6.73%), N (14.89%)

Molar Mass: 282.116

Atom Count: 25

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 2
Exact Mass 280.996388
Formal Charge 0
FSP3 0.27
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey SYIIYYDYEGITLS-IUCAKERBSA-N
Lipinski's Rule of Five 1
Molar Refractivity 73.61
Topological Polar Surface Area 30.71
Polarizability 23.31
Ring Count 3
Rotatable Bond Count 1

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