tert-butyl 3-(bromomethyl)thiophene-2-carboxylate

tert-butyl 3-(bromomethyl)thiophene-2-carboxylate

CAS: 252357-59-8

Formula: C10H13BrO2S

SMILES: CC(C)(C)OC(=O)C1=C(CBr)C=CS1

IUPAC: tert-butyl 3-(bromomethyl)thiophene-2-carboxylate

InChI: InChI=1S/C10H13BrO2S/c1-10(2,3)13-9(12)8-7(6-11)4-5-14-8/h4-5H,6H2,1-3H3

Composition: C (43.33%), H (4.73%), Br (28.83%), O (11.54%), S (11.57%)

Molar Mass: 277.18

Atom Count: 27

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	275.981964
Formal Charge	0
FSP3	0.5
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	VDIFFPQZHNXREW-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	61.63
Topological Polar Surface Area	26.3
Polarizability	23.6
Ring Count	1
Rotatable Bond Count	4

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95%	<2 Days	252357-59-8		$51.35-$712.31$51.35$63.37$86.31$442.46$712.31