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methyl 2-(4,5-dichloro-2-nitrophenyl)acetate

methyl 2-(4,5-dichloro-2-nitrophenyl)acetate

CAS: 286949-63-1

Formula: C9H7Cl2NO4

SMILES: COC(=O)CC1=CC(Cl)=C(Cl)C=C1[N+]([O-])=O

IUPAC: methyl 2-(4,5-dichloro-2-nitrophenyl)acetate

InChI: InChI=1S/C9H7Cl2NO4/c1-16-9(13)3-5-2-6(10)7(11)4-8(5)12(14)15/h2,4H,3H2,1H3

Composition: C (40.94%), H (2.67%), Cl (26.85%), N (5.30%), O (24.24%)

Molar Mass: 264.06

Atom Count: 23

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 262.9752131
Formal Charge 0
FSP3 0.22
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey UXNCYKUTRKLPRH-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 58.06
Topological Polar Surface Area 69.44
Polarizability 22.5
Ring Count 1
Rotatable Bond Count 4

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Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 286949-63-1 $51.35-$326.66$51.35$63.37$68.83$86.31$109.25$326.66
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