3-{[(3-bromo-4,5-dimethoxyphenyl)methyl]amino}-4-methylbenzoic acid

3-{[(3-bromo-4,5-dimethoxyphenyl)methyl]amino}-4-methylbenzoic acid

Formula: C17H18BrNO4

SMILES: COC1=CC(CNC2=CC(=CC=C2C)C(O)=O)=CC(Br)=C1OC

IUPAC: 3-{[(3-bromo-4,5-dimethoxyphenyl)methyl]amino}-4-methylbenzoic acid

InChI: InChI=1S/C17H18BrNO4/c1-10-4-5-12(17(20)21)8-14(10)19-9-11-6-13(18)16(23-3)15(7-11)22-2/h4-8,19H,9H2,1-3H3,(H,20,21)

Composition: C (53.70%), H (4.77%), Br (21.01%), N (3.68%), O (16.83%)

Molar Mass: 380.238

Atom Count: 41

Heavy Atom Count: 23

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	379.041921
Formal Charge	0
FSP3	0.24
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	RSRKATFHIPOISF-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	93.71
Topological Polar Surface Area	67.79
Polarizability	34.86
Ring Count	2
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C17H18BrNO4		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00