2-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)butanamide

2-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)butanamide

CAS: 347342-54-5

Formula: C12H14BrNO3

SMILES: CCC(Br)C(=O)NC1=CC2=C(OCCO2)C=C1

IUPAC: 2-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)butanamide

InChI: InChI=1/C12H14BrNO3/c1-2-9(13)12(15)14-8-3-4-10-11(7-8)17-6-5-16-10/h3-4,7,9H,2,5-6H2,1H3,(H,14,15)

Composition: C (48.02%), H (4.70%), Br (26.62%), N (4.67%), O (15.99%)

Molar Mass: 300.152

Atom Count: 31

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	299.015706
Formal Charge	0
FSP3	0.42
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	MXNRUCDLYCHLLA-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	68.63
Topological Polar Surface Area	47.56
Polarizability	26
Ring Count	2
Rotatable Bond Count	3

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