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methyl 2-bromo-4-methoxybenzoate

methyl 2-bromo-4-methoxybenzoate

CAS: 17100-65-1

Formula: C9H9BrO3

SMILES: COC(=O)C1=C(Br)C=C(OC)C=C1

IUPAC: methyl 2-bromo-4-methoxybenzoate

InChI: InChI=1S/C9H9BrO3/c1-12-6-3-4-7(8(10)5-6)9(11)13-2/h3-5H,1-2H3

Composition: C (44.11%), H (3.70%), Br (32.60%), O (19.58%)

Molar Mass: 245.072

Atom Count: 22

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 243.973507
Formal Charge 0
FSP3 0.22
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey MGIYCRUAYQQSNL-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 52.17
Topological Polar Surface Area 35.53
Polarizability 20.19
Ring Count 1
Rotatable Bond Count 3

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98% <7 Days 17100-65-1 $6.21-$427.46$6.21$7.25$13.46$46.58$85.91$174.92$427.46
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95% <5 Days 17100-65-1 $554.00$554.00
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96% <14 Days 17100-65-1 $94.50-$283.50$94.50$283.50
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Chemcia Scientific, LLC
Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 17100-65-1 $86.25-$517.50$86.25$299.00$517.50
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