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tert-butyl 4-bromo-2-methoxybenzoate

tert-butyl 4-bromo-2-methoxybenzoate

CAS: 1260897-35-5

Formula: C12H15BrO3

SMILES: COC1=C(C=CC(Br)=C1)C(=O)OC(C)(C)C

IUPAC: tert-butyl 4-bromo-2-methoxybenzoate

InChI: InChI=1S/C12H15BrO3/c1-12(2,3)16-11(14)9-6-5-8(13)7-10(9)15-4/h5-7H,1-4H3

Composition: C (50.19%), H (5.27%), Br (27.83%), O (16.71%)

Molar Mass: 287.153

Atom Count: 31

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 286.020457
Formal Charge 0
FSP3 0.42
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey PQPCKPGPIFGDTI-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 65.97
Topological Polar Surface Area 35.53
Polarizability 25.62
Ring Count 1
Rotatable Bond Count 4

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AA BLOCKS INC
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Purity LeadTime CAS PacketSize UnitPrice
95% <6 Days 1260897-35-5 $626.75-$1,201.75$626.75$1,201.75
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Struchem co.,ltd
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95% <5 Days 1260897-35-5 $2,640.00-$4,180.00$2,640.00$3,300.00$4,180.00
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