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

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

Formula: C15H12BrNO

SMILES: CC1=CC=C2OC(CC3=CC=C(Br)C=C3)=NC2=C1

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

InChI: InChI=1S/C15H12BrNO/c1-10-2-7-14-13(8-10)17-15(18-14)9-11-3-5-12(16)6-4-11/h2-8H,9H2,1H3

Composition: C (59.62%), H (4.00%), Br (26.44%), N (4.64%), O (5.29%)

Molar Mass: 302.171

Atom Count: 30

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 301.010227
Formal Charge 0
FSP3 0.13
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey NVIUDDDCEZSOHV-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 74.55
Topological Polar Surface Area 26.03
Polarizability 29.61
Ring Count 3
Rotatable Bond Count 2

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Struchem co.,ltd
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Purity LeadTime Formula PacketSize UnitPrice
95% <5 Days C15H12BrNO $1,540.00-$2,420.00$1,540.00$1,920.00$2,420.00
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