tert-butyl 2-hydroxy-5-nitrobenzoate

tert-butyl 2-hydroxy-5-nitrobenzoate

CAS: 155388-63-9

Formula: C11H13NO5

SMILES: CC(C)(C)OC(=O)C1=C(O)C=CC(=C1)[N+]([O-])=O

IUPAC: tert-butyl 2-hydroxy-5-nitrobenzoate

InChI: InChI=1S/C11H13NO5/c1-11(2,3)17-10(14)8-6-7(12(15)16)4-5-9(8)13/h4-6,13H,1-3H3

Composition: C (55.23%), H (5.48%), N (5.86%), O (33.44%)

Molar Mass: 239.227

Atom Count: 30

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	239.079372523
Formal Charge	0
FSP3	0.36
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	RAYDAZNGWRHBJP-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	60.19
Topological Polar Surface Area	89.67
Polarizability	22.84
Ring Count	1
Rotatable Bond Count	4

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<5 Days	155388-63-9		$2,640.00-$4,180.00$2,640.00$3,300.00$4,180.00