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2D Structure

Methyl- Chloroformate


  • SKU Code: CH141960
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Chemical Name - Methyl- Chloroformate
Mol Weight - 94.4968
Smiles - COC(Cl)=O
InChI - XMJHPCRAQCTCFT-UHFFFAOYSA-N
InChIKey - InChI=1S/C2H3ClO2/c1-5-2(3)4/h1H3
Property Name Property Value
Mol NameMethyl- Chloroformate
Molweight94.4968
Monoisotopic Mass93.982157
Clogp0.8196
Clogs-1.421
H Acceptors2
Total Surface Area68.93
Relative Psa0.33425
Polar Surface Area26.3
Druglikeness-12.134
Mutagenichigh
Tumorigenichigh
Reproductive Effectivenone
Irritantlow
Shape Index0.8
Molecular Flexibility0.61655
Molecular Complexity0.69315
Fragments1
Non H Atoms5
Non Ch Atoms3
Electronegative Atoms3
Rotatable Bonds1
Sp3 Atoms2
SmilesCOC(Cl)=O
InChIKeyInChI=1S/C2H3ClO2/c1-5-2(3)4/h1H3
InChIXMJHPCRAQCTCFT-UHFFFAOYSA-N

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