4,5-dibromo-3-methylcyclohexane-1,2-dicarboxylic acid

4,5-dibromo-3-methylcyclohexane-1,2-dicarboxylic acid

Formula: C9H12Br2O4

SMILES: CC1C(Br)C(Br)CC(C1C(O)=O)C(O)=O

IUPAC: 4,5-dibromo-3-methylcyclohexane-1,2-dicarboxylic acid

InChI: InChI=1/C9H12Br2O4/c1-3-6(9(14)15)4(8(12)13)2-5(10)7(3)11/h3-7H,2H2,1H3,(H,12,13)(H,14,15)

Composition: C (31.42%), H (3.52%), Br (46.46%), O (18.60%)

Molar Mass: 343.999

Atom Count: 27

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	5
Exact Mass	341.910235
Formal Charge	0
FSP3	0.78
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	ZLBZDHSWWOYOSK-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	59.66
Topological Polar Surface Area	74.6
Polarizability	23.73
Ring Count	1
Rotatable Bond Count	2

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C9H12Br2O4		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00