tert-butyl 2-bromobutanoate

tert-butyl 2-bromobutanoate

CAS: 24457-21-4

Formula: C8H15BrO2

SMILES: CCC(Br)C(=O)OC(C)(C)C

IUPAC: tert-butyl 2-bromobutanoate

InChI: InChI=1/C8H15BrO2/c1-5-6(9)7(10)11-8(2,3)4/h6H,5H2,1-4H3

Composition: C (43.07%), H (6.78%), Br (35.81%), O (14.34%)

Molar Mass: 223.11

Atom Count: 26

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	1
Exact Mass	222.025543
Formal Charge	0
FSP3	0.87
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	RIUJWUWLGXBICR-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	47.97
Topological Polar Surface Area	26.3
Polarizability	19.02
Ring Count	0
Rotatable Bond Count	4

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