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methyl 2-amino-5-bromo-4-chlorobenzoate

methyl 2-amino-5-bromo-4-chlorobenzoate

CAS: 765211-09-4

Formula: C8H7BrClNO2

SMILES: COC(=O)C1=C(N)C=C(Cl)C(Br)=C1

IUPAC: methyl 2-amino-5-bromo-4-chlorobenzoate

InChI: InChI=1S/C8H7BrClNO2/c1-13-8(12)4-2-5(9)6(10)3-7(4)11/h2-3H,11H2,1H3

Composition: C (36.33%), H (2.67%), Br (30.21%), Cl (13.40%), N (5.30%), O (12.10%)

Molar Mass: 264.5

Atom Count: 20

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 262.934869
Formal Charge 0
FSP3 0.12
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey ZPXIVPLXMVFFKP-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 55.21
Topological Polar Surface Area 52.32
Polarizability 20.81
Ring Count 1
Rotatable Bond Count 2

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97% <2 Days 765211-09-4 $109.25-$764.75$109.25$431.25$764.75
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