4-(morpholin-4-yl)-2-nitrobenzoic acid

4-(morpholin-4-yl)-2-nitrobenzoic acid

CAS: 404010-98-6

Formula: C11H12N2O5

SMILES: OC(=O)C1=CC=C(C=C1[N+]([O-])=O)N1CCOCC1

IUPAC: 4-(morpholin-4-yl)-2-nitrobenzoic acid

InChI: InChI=1S/C11H12N2O5/c14-11(15)9-2-1-8(7-10(9)13(16)17)12-3-5-18-6-4-12/h1-2,7H,3-6H2,(H,14,15)

Composition: C (52.38%), H (4.80%), N (11.11%), O (31.72%)

Molar Mass: 252.226

Atom Count: 30

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	252.074621494
Formal Charge	0
FSP3	0.36
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
InChIKey	XTCFTNJWMQVACD-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	63.14
Topological Polar Surface Area	92.91
Polarizability	23.15
Ring Count	2
Rotatable Bond Count	3

Suppliers

Molecule Market Select

Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<5 Days	404010-98-6		$39.09-$591.41$39.09$56.75$108.45$325.34$591.41