1-(4-nitrophenyl)piperidin-4-yl methanesulfonate

1-(4-nitrophenyl)piperidin-4-yl methanesulfonate

CAS: 303977-18-6

Formula: C12H16N2O5S

SMILES: CS(=O)(=O)OC1CCN(CC1)C1=CC=C(C=C1)[N+]([O-])=O

IUPAC: 1-(4-nitrophenyl)piperidin-4-yl methanesulfonate

InChI: InChI=1S/C12H16N2O5S/c1-20(17,18)19-12-6-8-13(9-7-12)10-2-4-11(5-3-10)14(15)16/h2-5,12H,6-9H2,1H3

Composition: C (47.99%), H (5.37%), N (9.33%), O (26.64%), S (10.67%)

Molar Mass: 300.33

Atom Count: 36

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	300.077992797
Formal Charge	0
FSP3	0.5
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
InChIKey	XEXKLYWORMEHAP-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	73.28
Topological Polar Surface Area	89.75
Polarizability	28.64
Ring Count	2
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<7 Days	303977-18-6		$21.74-$50.72$21.74$50.72

AA BLOCKS INC

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<6 Days	303977-18-6		$18.40-$32.20$18.40$32.20

Molecule Market Select

Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<5 Days	303977-18-6		$22.70-$41.61$22.70$41.61