1-(2H-1,3-benzodioxol-5-yl)-3-bromopropan-2-one

1-(2H-1,3-benzodioxol-5-yl)-3-bromopropan-2-one

Formula: C10H9BrO3

SMILES: BrCC(=O)CC1=CC2=C(OCO2)C=C1

IUPAC: 1-(2H-1,3-benzodioxol-5-yl)-3-bromopropan-2-one

InChI: InChI=1S/C10H9BrO3/c11-5-8(12)3-7-1-2-9-10(4-7)14-6-13-9/h1-2,4H,3,5-6H2

Composition: C (46.72%), H (3.53%), Br (31.08%), O (18.67%)

Molar Mass: 257.083

Atom Count: 23

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	255.973507
Formal Charge	0
FSP3	0.3
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	CCOCVQUDBNICKO-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	54.42
Topological Polar Surface Area	35.53
Polarizability	21.22
Ring Count	2
Rotatable Bond Count	3

Suppliers

Struchem co.,ltd

Supplier Profile

Purity	LeadTime	Formula	PacketSize	UnitPrice
95%	<5 Days	C10H9BrO3		$462.00-$2,860.00$462.00$1,540.00$2,860.00