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methyl 2-(2-chloroacetamido)-3-methylbenzoate

methyl 2-(2-chloroacetamido)-3-methylbenzoate

CAS: 77093-79-9

Formula: C11H12ClNO3

SMILES: COC(=O)C1=C(NC(=O)CCl)C(C)=CC=C1

IUPAC: methyl 2-(2-chloroacetamido)-3-methylbenzoate

InChI: InChI=1S/C11H12ClNO3/c1-7-4-3-5-8(11(15)16-2)10(7)13-9(14)6-12/h3-5H,6H2,1-2H3,(H,13,14)

Composition: C (54.67%), H (5.01%), Cl (14.67%), N (5.80%), O (19.86%)

Molar Mass: 241.67

Atom Count: 28

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 241.050571
Formal Charge 0
FSP3 0.27
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey KOZRUXYBWBKQSF-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 62.74
Topological Polar Surface Area 55.4
Polarizability 23.29
Ring Count 1
Rotatable Bond Count 4

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Key Organics Ltd
Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 77093-79-9 $51.35-$168.25$51.35$63.37$86.31$168.25
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LabNetwork INC
Purity LeadTime CAS PacketSize UnitPrice
95% 1 Day 77093-79-9 $276.75$276.75
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