tert-butyl 6-bromohexanoate

tert-butyl 6-bromohexanoate

CAS: 65868-63-5

Formula: C10H19BrO2

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

IUPAC: tert-butyl 6-bromohexanoate

InChI: InChI=1S/C10H19BrO2/c1-10(2,3)13-9(12)7-5-4-6-8-11/h4-8H2,1-3H3

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	0
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	PSELCIMQRLODQE-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	57.61
Topological Polar Surface Area	26.3
Polarizability	22.64
Ring Count	0
Rotatable Bond Count	7

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