ethyl 2-bromooctanoate

ethyl 2-bromooctanoate

CAS: 5445-29-4

Formula: C10H19BrO2

SMILES: CCCCCCC(Br)C(=O)OCC

IUPAC: ethyl 2-bromooctanoate

InChI: InChI=1/C10H19BrO2/c1-3-5-6-7-8-9(11)10(12)13-4-2/h9H,3-8H2,1-2H3

Composition: C (47.82%), H (7.63%), Br (31.81%), O (12.74%)

Molar Mass: 251.164

Atom Count: 32

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	1
Exact Mass	250.056843
Formal Charge	0
FSP3	0.9
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	JIQJOKSCSVMZAN-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	57.32
Topological Polar Surface Area	26.3
Polarizability	22.64
Ring Count	0
Rotatable Bond Count	8

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