methyl 5-(3-aminophenyl)furan-2-carboxylate

methyl 5-(3-aminophenyl)furan-2-carboxylate

CAS: 54023-06-2

Formula: C12H11NO3

SMILES: COC(=O)C1=CC=C(O1)C1=CC(N)=CC=C1

IUPAC: methyl 5-(3-aminophenyl)furan-2-carboxylate

InChI: InChI=1S/C12H11NO3/c1-15-12(14)11-6-5-10(16-11)8-3-2-4-9(13)7-8/h2-7H,13H2,1H3

Composition: C (66.35%), H (5.10%), N (6.45%), O (22.10%)

Molar Mass: 217.224

Atom Count: 27

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	217.073893218
Formal Charge	0
FSP3	0.08
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	IZIZPLREWPTKFV-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	60.19
Topological Polar Surface Area	65.46
Polarizability	23.71
Ring Count	2
Rotatable Bond Count	3

Suppliers

Kinentia Biosciences LLC

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<14 Days	54023-06-2		$96.39-$289.17$96.39$289.17