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2-(3-methyl-4-nitrophenyl)-1,3-oxazole-4-carbaldehyde

2-(3-methyl-4-nitrophenyl)-1,3-oxazole-4-carbaldehyde

CAS: 885274-46-4

Formula: C11H8N2O4

SMILES: CC1=CC(=CC=C1[N+]([O-])=O)C1=NC(C=O)=CO1

IUPAC: 2-(3-methyl-4-nitrophenyl)-1,3-oxazole-4-carbaldehyde

InChI: InChI=1S/C11H8N2O4/c1-7-4-8(2-3-10(7)13(15)16)11-12-9(5-14)6-17-11/h2-6H,1H3

Composition: C (56.90%), H (3.47%), N (12.06%), O (27.56%)

Molar Mass: 232.195

Atom Count: 25

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 232.048406746
Formal Charge 0
FSP3 0.09
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 0
InChIKey MBWREJUWQSAKCM-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 69.43
Topological Polar Surface Area 86.24
Polarizability 22.18
Ring Count 2
Rotatable Bond Count 3

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98% <2 Days 885274-46-4 $221.95-$6,762.00$221.95$327.75$540.50$966.00$1,817.00$6,762.00
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