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methyl 2-bromo-6-chlorobenzoate

methyl 2-bromo-6-chlorobenzoate

CAS: 685892-23-3

Formula: C8H6BrClO2

SMILES: COC(=O)C1=C(Br)C=CC=C1Cl

IUPAC: methyl 2-bromo-6-chlorobenzoate

InChI: InChI=1S/C8H6BrClO2/c1-12-8(11)7-5(9)3-2-4-6(7)10/h2-4H,1H3

Composition: C (38.51%), H (2.42%), Br (32.03%), Cl (14.21%), O (12.83%)

Molar Mass: 249.49

Atom Count: 18

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 247.92397
Formal Charge 0
FSP3 0.12
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey XSNZTSBNXMQBRI-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 50.51
Topological Polar Surface Area 26.3
Polarizability 19.63
Ring Count 1
Rotatable Bond Count 2

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Struchem co.,ltd
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Purity LeadTime CAS PacketSize UnitPrice
95% <5 Days 685892-23-3 $2,100.00-$3,100.00$2,100.00$3,100.00
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Struchem co.,ltd
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Purity LeadTime CAS PacketSize UnitPrice
98% <5 Days 685892-23-3 $370.00-$923.00$370.00$646.00$923.00
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