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12,12-dibromo-N-methanesulfonyldodec-11-enamide

12,12-dibromo-N-methanesulfonyldodec-11-enamide

CAS: 206052-03-1

Formula: C13H23Br2NO3S

SMILES: CS(=O)(=O)NC(=O)CCCCCCCCCC=C(Br)Br

IUPAC: 12,12-dibromo-N-methanesulfonyldodec-11-enamide

InChI: InChI=1S/C13H23Br2NO3S/c1-20(18,19)16-13(17)11-9-7-5-3-2-4-6-8-10-12(14)15/h10H,2-9,11H2,1H3,(H,16,17)

Composition: C (36.04%), H (5.35%), Br (36.89%), N (3.23%), O (11.08%), S (7.40%)

Molar Mass: 433.2

Atom Count: 43

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 430.976541
Formal Charge 0
FSP3 0.77
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey BDCZFOHEQGRTBW-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 99.31
Topological Polar Surface Area 63.24
Polarizability 35.52
Ring Count 0
Rotatable Bond Count 10

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