N-(2H-1,3-benzodioxol-5-yl)-2-bromobutanamide

N-(2H-1,3-benzodioxol-5-yl)-2-bromobutanamide

CAS: 451460-07-4

Formula: C11H12BrNO3

SMILES: CCC(Br)C(=O)NC1=CC2=C(OCO2)C=C1

IUPAC: N-(2H-1,3-benzodioxol-5-yl)-2-bromobutanamide

InChI: InChI=1/C11H12BrNO3/c1-2-8(12)11(14)13-7-3-4-9-10(5-7)16-6-15-9/h3-5,8H,2,6H2,1H3,(H,13,14)

Composition: C (46.18%), H (4.23%), Br (27.93%), N (4.90%), O (16.77%)

Molar Mass: 286.125

Atom Count: 28

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	285.000056
Formal Charge	0
FSP3	0.36
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	GZQVKDBFMPWKSN-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	63.44
Topological Polar Surface Area	47.56
Polarizability	24.19
Ring Count	2
Rotatable Bond Count	3

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