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tert-butyl N-[2-(5-bromothiophen-2-yl)ethyl]carbamate

tert-butyl N-[2-(5-bromothiophen-2-yl)ethyl]carbamate

CAS: 885279-60-7

Formula: C11H16BrNO2S

SMILES: CC(C)(C)OC(=O)NCCC1=CC=C(Br)S1

IUPAC: tert-butyl N-[2-(5-bromothiophen-2-yl)ethyl]carbamate

InChI: InChI=1S/C11H16BrNO2S/c1-11(2,3)15-10(14)13-7-6-8-4-5-9(12)16-8/h4-5H,6-7H2,1-3H3,(H,13,14)

Composition: C (43.15%), H (5.27%), Br (26.09%), N (4.57%), O (10.45%), S (10.47%)

Molar Mass: 306.22

Atom Count: 32

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 305.008513
Formal Charge 0
FSP3 0.55
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 1
InChIKey DXBJSPGRHGHJQU-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 67.94
Topological Polar Surface Area 38.33
Polarizability 26.71
Ring Count 1
Rotatable Bond Count 5

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