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tert-butyl N-[(5-bromo-1,3-thiazol-2-yl)methyl]carbamate

tert-butyl N-[(5-bromo-1,3-thiazol-2-yl)methyl]carbamate

CAS: 713107-42-7

Formula: C9H13BrN2O2S

SMILES: CC(C)(C)OC(=O)NCC1=NC=C(Br)S1

IUPAC: tert-butyl N-[(5-bromo-1,3-thiazol-2-yl)methyl]carbamate

InChI: InChI=1S/C9H13BrN2O2S/c1-9(2,3)14-8(13)12-5-7-11-4-6(10)15-7/h4H,5H2,1-3H3,(H,12,13)

Composition: C (36.87%), H (4.47%), Br (27.25%), N (9.56%), O (10.91%), S (10.94%)

Molar Mass: 293.18

Atom Count: 28

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 291.988112
Formal Charge 0
FSP3 0.56
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey KZWLYPGSSJIELD-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 60.72
Topological Polar Surface Area 51.22
Polarizability 24.12
Ring Count 1
Rotatable Bond Count 4

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