2-(chloromethyl)-5-nitro-1,3-benzoxazole

2-(chloromethyl)-5-nitro-1,3-benzoxazole

CAS: 119198-10-6

Formula: C8H5ClN2O3

SMILES: [O-][N+](=O)C1=CC=C2OC(CCl)=NC2=C1

IUPAC: 2-(chloromethyl)-5-nitro-1,3-benzoxazole

InChI: InChI=1S/C8H5ClN2O3/c9-4-8-10-6-3-5(11(12)13)1-2-7(6)14-8/h1-3H,4H2

Composition: C (45.20%), H (2.37%), Cl (16.68%), N (13.18%), O (22.58%)

Molar Mass: 212.59

Atom Count: 19

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	211.9988697
Formal Charge	0
FSP3	0.12
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	AQZQGQKSWZXRCF-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	48.24
Topological Polar Surface Area	69.17
Polarizability	19.44
Ring Count	2
Rotatable Bond Count	2

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<2 Days	119198-10-6		$172.50-$345.00$172.50$345.00