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  1. InChIKey:
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  3. Formula:
Amount Price  Help
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Guaranteed purity (%) Delivery time  Help
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1 mg 66 USD 90 10 working days Get Quote
5 mg 82 USD 90 10 working days Get Quote
10 mg 111 USD 90 10 working days Get Quote
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mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-852133159 A2B Chem Predominantly Building Block on demand 90 As is by synthesis
P-851772233 AmBeed On request N/A As is by synthesis
P-454408730 Key Organics Building Blocks 90 As is 3.61 g
P-18704521 Key Organics Screening Compounds and Fragments 90 As is 3.61 g
Property Value
Components 1
Mass 347.348
logP 0.4038
H-bond acceptors 8
H-bond donors 2
Rotatable bonds 3
PSA 125.76
RO5 violations 0
RO3 violations 3
Refractivity 97.3115
Atoms 37
Rings 4
Heavy atoms 24
Hydrogen atoms 13
Heteroatoms 9
N/O atoms 8
Inorganic atoms 0
Halogen atoms 0
Chiral centers 1
R/S chiral centers 0
Unknown chiral centers 0
Undefined chiral centers 1
Stereo double bonds 1
Cis/trans stereo double bonds 0
Unknown stereo double bonds 1
Undefined stereo double bonds 0