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tert-butyl N-(5-bromo-1,3-thiazol-4-yl)carbamate

tert-butyl N-(5-bromo-1,3-thiazol-4-yl)carbamate

CAS: 1823881-74-8

Formula: C8H11BrN2O2S

SMILES: CC(C)(C)OC(=O)NC1=C(Br)SC=N1

IUPAC: tert-butyl N-(5-bromo-1,3-thiazol-4-yl)carbamate

InChI: InChI=1S/C8H11BrN2O2S/c1-8(2,3)13-7(12)11-6-5(9)14-4-10-6/h4H,1-3H3,(H,11,12)

Composition: C (34.42%), H (3.97%), Br (28.62%), N (10.04%), O (11.46%), S (11.48%)

Molar Mass: 279.15

Atom Count: 25

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 277.972462
Formal Charge 0
FSP3 0.5
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey QIGDPZSNGDXAOF-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 58.65
Topological Polar Surface Area 51.22
Polarizability 22.32
Ring Count 1
Rotatable Bond Count 3

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