4-nitro-1,3-benzothiazole

4-nitro-1,3-benzothiazole

CAS: 2942-08-7

Formula: C7H4N2O2S

SMILES: [O-][N+](=O)C1=C2N=CSC2=CC=C1

IUPAC: 4-nitro-1,3-benzothiazole

InChI: InChI=1S/C7H4N2O2S/c10-9(11)5-2-1-3-6-7(5)8-4-12-6/h1-4H

Composition: C (46.66%), H (2.24%), N (15.55%), O (17.76%), S (17.79%)

Molar Mass: 180.18

Atom Count: 16

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	179.999348551
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	HTEFJELLZLFAQE-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	43.45
Topological Polar Surface Area	56.03
Polarizability	17.52
Ring Count	2
Rotatable Bond Count	1

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