3,4-bis(2-bromobenzamido)benzoic acid

3,4-bis(2-bromobenzamido)benzoic acid

Formula: C21H14Br2N2O4

SMILES: OC(=O)C1=CC=C(NC(=O)C2=CC=CC=C2Br)C(NC(=O)C2=CC=CC=C2Br)=C1

IUPAC: 3,4-bis(2-bromobenzamido)benzoic acid

InChI: InChI=1S/C21H14Br2N2O4/c22-15-7-3-1-5-13(15)19(26)24-17-10-9-12(21(28)29)11-18(17)25-20(27)14-6-2-4-8-16(14)23/h1-11H,(H,24,26)(H,25,27)(H,28,29)

Composition: C (48.68%), H (2.72%), Br (30.84%), N (5.41%), O (12.35%)

Molar Mass: 518.161

Atom Count: 43

Heavy Atom Count: 29

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	515.932033
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	3
InChIKey	BHBKAVZKFAPBDM-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	119.63
Topological Polar Surface Area	95.5
Polarizability	43.61
Ring Count	3
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C21H14Br2N2O4		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00