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4-nitro-1,2-benzoxazole

4-nitro-1,2-benzoxazole

CAS: 1823353-28-1

Formula: C7H4N2O3

SMILES: [O-][N+](=O)C1=C2C=NOC2=CC=C1

IUPAC: 4-nitro-1,2-benzoxazole

InChI: InChI=1S/C7H4N2O3/c10-9(11)6-2-1-3-7-5(6)4-8-12-7/h1-4H

Composition: C (51.23%), H (2.46%), N (17.07%), O (29.25%)

Molar Mass: 164.12

Atom Count: 16

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 164.022191997
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey PWRLVIBSLCSATP-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 40.15
Topological Polar Surface Area 69.17
Polarizability 15.74
Ring Count 2
Rotatable Bond Count 1

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