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

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

Formula: C19H21NO

SMILES: CC1=CC=CC(CC2=NC3=CC(=CC=C3O2)C(C)(C)C)=C1

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

InChI: InChI=1S/C19H21NO/c1-13-6-5-7-14(10-13)11-18-20-16-12-15(19(2,3)4)8-9-17(16)21-18/h5-10,12H,11H2,1-4H3

Composition: C (81.68%), H (7.58%), N (5.01%), O (5.73%)

Molar Mass: 279.383

Atom Count: 42

Heavy Atom Count: 21

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 279.1623143
Formal Charge 0
FSP3 0.32
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey LKXWMGDXLMQBEI-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 85.59
Topological Polar Surface Area 26.03
Polarizability 34.31
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 C19H21NO $1,541.00-$2,420.00$1,541.00$1,920.00$2,420.00
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