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2-[(4-bromophenyl)methyl]-5-tert-butyl-1,3-benzoxazole

2-[(4-bromophenyl)methyl]-5-tert-butyl-1,3-benzoxazole

Formula: C18H18BrNO

SMILES: CC(C)(C)C1=CC=C2OC(CC3=CC=C(Br)C=C3)=NC2=C1

IUPAC: 2-[(4-bromophenyl)methyl]-5-tert-butyl-1,3-benzoxazole

InChI: InChI=1S/C18H18BrNO/c1-18(2,3)13-6-9-16-15(11-13)20-17(21-16)10-12-4-7-14(19)8-5-12/h4-9,11H,10H2,1-3H3

Composition: C (62.80%), H (5.27%), Br (23.21%), N (4.07%), O (4.65%)

Molar Mass: 344.252

Atom Count: 39

Heavy Atom Count: 21

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 343.057177
Formal Charge 0
FSP3 0.28
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey MHBHYNWVJGMMQG-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 88.17
Topological Polar Surface Area 26.03
Polarizability 35.12
Ring Count 3
Rotatable Bond Count 3

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Struchem co.,ltd
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Purity LeadTime Formula PacketSize UnitPrice
95% <5 Days C18H18BrNO $1,541.00-$2,420.00$1,541.00$1,920.00$2,420.00
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