2-bromo-N-heptylacetamide

2-bromo-N-heptylacetamide

CAS: 5463-16-1

Formula: C9H18BrNO

SMILES: CCCCCCCNC(=O)CBr

IUPAC: 2-bromo-N-heptylacetamide

InChI: InChI=1S/C9H18BrNO/c1-2-3-4-5-6-7-11-9(12)8-10/h2-8H2,1H3,(H,11,12)

Composition: C (45.77%), H (7.68%), Br (33.84%), N (5.93%), O (6.77%)

Molar Mass: 236.153

Atom Count: 30

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	235.057177
Formal Charge	0
FSP3	0.89
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
InChIKey	IKIDKUUEELNQKF-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	54.78
Topological Polar Surface Area	29.1
Polarizability	21.23
Ring Count	0
Rotatable Bond Count	7

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