2-(acetyloxy)-5-bromo-3-nitrobenzoic acid

2-(acetyloxy)-5-bromo-3-nitrobenzoic acid

Formula: C9H6BrNO6

SMILES: CC(=O)OC1=C(C=C(Br)C=C1[N+]([O-])=O)C(O)=O

IUPAC: 2-(acetyloxy)-5-bromo-3-nitrobenzoic acid

InChI: InChI=1S/C9H6BrNO6/c1-4(12)17-8-6(9(13)14)2-5(10)3-7(8)11(15)16/h2-3H,1H3,(H,13,14)

Composition: C (35.55%), H (1.99%), Br (26.28%), N (4.61%), O (31.57%)

Molar Mass: 304.052

Atom Count: 23

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	302.93785
Formal Charge	0
FSP3	0.11
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	JVLDXYUWZWVKGS-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	58.39
Topological Polar Surface Area	106.74
Polarizability	22.3
Ring Count	1
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C9H6BrNO6		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00