tert-butyl 2-methyl-5-nitrobenzoate

tert-butyl 2-methyl-5-nitrobenzoate

CAS: 873005-25-5

Formula: C12H15NO4

SMILES: CC1=C(C=C(C=C1)[N+]([O-])=O)C(=O)OC(C)(C)C

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

InChI: InChI=1S/C12H15NO4/c1-8-5-6-9(13(15)16)7-10(8)11(14)17-12(2,3)4/h5-7H,1-4H3

Composition: C (60.75%), H (6.37%), N (5.90%), O (26.97%)

Molar Mass: 237.255

Atom Count: 32

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	237.100107967
Formal Charge	0
FSP3	0.42
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	GUXFFXRATFGCRR-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	63.25
Topological Polar Surface Area	69.44
Polarizability	23.93
Ring Count	1
Rotatable Bond Count	4

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<5 Days	873005-25-5		$2,640.00-$4,180.00$2,640.00$3,300.00$4,180.00