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methyl 2-(bromomethyl)-5-tert-butylbenzoate

methyl 2-(bromomethyl)-5-tert-butylbenzoate

CAS: 1220040-01-6

Formula: C13H17BrO2

SMILES: COC(=O)C1=CC(=CC=C1CBr)C(C)(C)C

IUPAC: methyl 2-(bromomethyl)-5-tert-butylbenzoate

InChI: InChI=1S/C13H17BrO2/c1-13(2,3)10-6-5-9(8-14)11(7-10)12(15)16-4/h5-7H,8H2,1-4H3

Composition: C (54.75%), H (6.01%), Br (28.02%), O (11.22%)

Molar Mass: 285.181

Atom Count: 33

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 284.041193
Formal Charge 0
FSP3 0.46
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey AVPWOKNWGBYYQW-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 69.6
Topological Polar Surface Area 26.3
Polarizability 26.53
Ring Count 1
Rotatable Bond Count 4

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Purity (%)
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Days
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J&W PHARMLAB LLC
Purity LeadTime CAS PacketSize UnitPrice
97% <2 Days 1220040-01-6 $227.70-$4,597.70$227.70$342.70$457.70$687.70$1,147.70$4,597.70
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