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tert-butyl N-(5-bromothiophen-2-yl)carbamate

tert-butyl N-(5-bromothiophen-2-yl)carbamate

CAS: 943321-89-9

Formula: C9H12BrNO2S

SMILES: CC(C)(C)OC(=O)NC1=CC=C(Br)S1

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

InChI: InChI=1S/C9H12BrNO2S/c1-9(2,3)13-8(12)11-7-5-4-6(10)14-7/h4-5H,1-3H3,(H,11,12)

Composition: C (38.86%), H (4.35%), Br (28.73%), N (5.04%), O (11.50%), S (11.53%)

Molar Mass: 278.16

Atom Count: 26

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 276.977213
Formal Charge 0
FSP3 0.44
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey SKPRAKMCHAPMNY-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 59.4
Topological Polar Surface Area 38.33
Polarizability 23.1
Ring Count 1
Rotatable Bond Count 3

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