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

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

Formula: C16H13BrO3

SMILES: BrC1=C(CCC(=O)C2=CC3=C(OCO3)C=C2)C=CC=C1

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

InChI: InChI=1S/C16H13BrO3/c17-13-4-2-1-3-11(13)5-7-14(18)12-6-8-15-16(9-12)20-10-19-15/h1-4,6,8-9H,5,7,10H2

Composition: C (57.68%), H (3.93%), Br (23.98%), O (14.41%)

Molar Mass: 333.181

Atom Count: 33

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	332.004807
Formal Charge	0
FSP3	0.19
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	XSYOIORGYGCANW-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	79.17
Topological Polar Surface Area	35.53
Polarizability	30.73
Ring Count	3
Rotatable Bond Count	4

Suppliers

Struchem co.,ltd

Supplier Profile

Purity	LeadTime	Formula	PacketSize	UnitPrice
95%	<5 Days	C16H13BrO3		$1,301.00-$2,420.00$1,301.00$2,420.00