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methyl 7-(benzyloxy)-2-bromohept-2-enoate

methyl 7-(benzyloxy)-2-bromohept-2-enoate

Formula: C15H19BrO3

SMILES: COC(=O)C(Br)=CCCCCOCC1=CC=CC=C1

IUPAC: methyl 7-(benzyloxy)-2-bromohept-2-enoate

InChI: InChI=1S/C15H19BrO3/c1-18-15(17)14(16)10-6-3-7-11-19-12-13-8-4-2-5-9-13/h2,4-5,8-10H,3,6-7,11-12H2,1H3

Composition: C (55.06%), H (5.85%), Br (24.42%), O (14.67%)

Molar Mass: 327.218

Atom Count: 38

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 326.051757
Formal Charge 0
FSP3 0.4
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey GRAZQHDUWJXUQB-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 80.44
Topological Polar Surface Area 35.53
Polarizability 30.8
Ring Count 1
Rotatable Bond Count 9

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Chemcia Scientific, LLC
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Purity LeadTime Formula PacketSize UnitPrice
95% <2 Days C15H19BrO3 $339.25-$1,950.40$339.25$1,144.25$1,950.40
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