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methyl 3-{[(2-chloroethyl)carbamoyl]amino}-4-methylbenzoate

methyl 3-{[(2-chloroethyl)carbamoyl]amino}-4-methylbenzoate

CAS: 64624-41-5

Formula: C12H15ClN2O3

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

IUPAC: methyl 3-{[(2-chloroethyl)carbamoyl]amino}-4-methylbenzoate

InChI: InChI=1S/C12H15ClN2O3/c1-8-3-4-9(11(16)18-2)7-10(8)15-12(17)14-6-5-13/h3-4,7H,5-6H2,1-2H3,(H2,14,15,17)

Composition: C (53.24%), H (5.59%), Cl (13.10%), N (10.35%), O (17.73%)

Molar Mass: 270.71

Atom Count: 33

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 270.0771201
Formal Charge 0
FSP3 0.33
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 2
InChIKey KJDGUXHJHGORBS-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 70.9
Topological Polar Surface Area 67.43
Polarizability 26.27
Ring Count 1
Rotatable Bond Count 5

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Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 64624-41-5 $51.35-$524.40$51.35$63.37$86.31$524.40
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