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methyl 3-[(3-chloro-2-methylphenyl)carbamoyl]propanoate

methyl 3-[(3-chloro-2-methylphenyl)carbamoyl]propanoate

Formula: C12H14ClNO3

SMILES: COC(=O)CCC(=O)NC1=C(C)C(Cl)=CC=C1

IUPAC: methyl 3-[(3-chloro-2-methylphenyl)carbamoyl]propanoate

InChI: InChI=1S/C12H14ClNO3/c1-8-9(13)4-3-5-10(8)14-11(15)6-7-12(16)17-2/h3-5H,6-7H2,1-2H3,(H,14,15)

Composition: C (56.37%), H (5.52%), Cl (13.86%), N (5.48%), O (18.77%)

Molar Mass: 255.7

Atom Count: 31

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 255.066221
Formal Charge 0
FSP3 0.33
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey BDHNYHOVLQBBOM-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 66.43
Topological Polar Surface Area 55.4
Polarizability 25.18
Ring Count 1
Rotatable Bond Count 5

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C12H14ClNO3 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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