6-chloro-7-nitro-3,4-dihydro-2H-1,4-benzoxazine

6-chloro-7-nitro-3,4-dihydro-2H-1,4-benzoxazine

CAS: 1198475-26-1

Formula: C8H7ClN2O3

SMILES: [O-][N+](=O)C1=C(Cl)C=C2NCCOC2=C1

IUPAC: 6-chloro-7-nitro-3,4-dihydro-2H-1,4-benzoxazine

InChI: InChI=1S/C8H7ClN2O3/c9-5-3-6-8(14-2-1-10-6)4-7(5)11(12)13/h3-4,10H,1-2H2

Composition: C (44.77%), H (3.29%), Cl (16.52%), N (13.05%), O (22.37%)

Molar Mass: 214.61

Atom Count: 21

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	214.0145198
Formal Charge	0
FSP3	0.25
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	PHOQKCIJSNYPRZ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	51.87
Topological Polar Surface Area	64.4
Polarizability	19.01
Ring Count	2
Rotatable Bond Count	1

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<2 Days	1198475-26-1		$51.35-$225.06$51.35$63.37$86.31$143.12$225.06