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

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

Formula: C15H12N2O3

SMILES: CC1=CC=C2OC(CC3=C(C=CC=C3)[N+]([O-])=O)=NC2=C1

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

InChI: InChI=1S/C15H12N2O3/c1-10-6-7-14-12(8-10)16-15(20-14)9-11-4-2-3-5-13(11)17(18)19/h2-8H,9H2,1H3

Composition: C (67.16%), H (4.51%), N (10.44%), O (17.89%)

Molar Mass: 268.272

Atom Count: 32

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 268.084792254
Formal Charge 0
FSP3 0.13
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey UJZHJNBMIFYNHU-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 73.25
Topological Polar Surface Area 69.17
Polarizability 28.79
Ring Count 3
Rotatable Bond Count 3

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Struchem co.,ltd
Purity LeadTime Formula PacketSize UnitPrice
95% <5 Days C15H12N2O3 $1,541.00-$2,420.00$1,541.00$1,920.00$2,420.00
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