methyl 2-bromotetradecanoate

methyl 2-bromotetradecanoate

CAS: 16631-25-7

Formula: C15H29BrO2

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

IUPAC: methyl 2-bromotetradecanoate

InChI: InChI=1/C15H29BrO2/c1-3-4-5-6-7-8-9-10-11-12-13-14(16)15(17)18-2/h14H,3-13H2,1-2H3

Composition: C (56.07%), H (9.10%), Br (24.87%), O (9.96%)

Molar Mass: 321.299

Atom Count: 47

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	1
Exact Mass	320.135093
Formal Charge	0
FSP3	0.93
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	NTDPLPAGWMERRU-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	80.18
Topological Polar Surface Area	26.3
Polarizability	31.76
Ring Count	0
Rotatable Bond Count	13

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