tert-butyl 5-bromopentanoate

tert-butyl 5-bromopentanoate

CAS: 88987-42-2

Formula: C9H17BrO2

SMILES: CC(C)(C)OC(=O)CCCCBr

IUPAC: tert-butyl 5-bromopentanoate

InChI: InChI=1S/C9H17BrO2/c1-9(2,3)12-8(11)6-4-5-7-10/h4-7H2,1-3H3

Composition: C (45.59%), H (7.23%), Br (33.70%), O (13.49%)

Molar Mass: 237.137

Atom Count: 29

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	236.041193
Formal Charge	0
FSP3	0.89
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	UYDIIUHJHUZDME-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	53.01
Topological Polar Surface Area	26.3
Polarizability	20.82
Ring Count	0
Rotatable Bond Count	6

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