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methyl 3-bromo-2-chlorobenzoate

methyl 3-bromo-2-chlorobenzoate

CAS: 871224-19-0

Formula: C8H6BrClO2

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

IUPAC: methyl 3-bromo-2-chlorobenzoate

InChI: InChI=1S/C8H6BrClO2/c1-12-8(11)5-3-2-4-6(9)7(5)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 OWPJVOSLLKRKQJ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 50.51
Topological Polar Surface Area 26.3
Polarizability 19.64
Ring Count 1
Rotatable Bond Count 2

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95% <5 Days 871224-19-0 $370.00-$590.00$370.00$590.00
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