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2-[methyl(propoxy)phosphoryl]oxyacetamide structure
2-[methyl(propoxy)phosphoryl]oxyacetamide structure

2-[methyl(propoxy)phosphoryl]oxyacetamide

Iupac Name:(2,3-dichloro-6-fluorophenyl)methanamine
CAS No.:886501-27-5
Molecular Weight:194.03
1. Names and Identifiers
1.1 Name
2-[methyl(propoxy)phosphoryl]oxyacetamide
1.2 Synonyms

Carbamoylmethyl-methyl-propylphosphonat Phosphonic acid,methyl-,2-amino-2-oxoethyl propyl ester

1.3 CAS No.
886501-27-5
1.4 CID
17750750
1.5 Molecular Formula
C12H27N2O2P (isomer)
1.6 Inchi
InChI=1S/C7H6Cl2FN/c8-5-1-2-6(10)4(3-11)7(5)9/h1-2H,3,11H2
1.7 InChkey
DQKOSZMSZGNUDK-UHFFFAOYSA-N
1.8 Canonical Smiles
C1=CC(=C(C(=C1F)CN)Cl)Cl
1.9 Isomers Smiles
C1=CC(=C(C(=C1F)CN)Cl)Cl
2. 3D Conformer
3. Safety and Handling
3.1 Risk Statements
22
3.2 PackingGroup
III
4. Computational chemical data
  • Molecular Weight:194.03g/mol
  • Molecular Formula:C12H27N2O2P
  • Compound Is Canonicalized:True
  • XLogP3-AA:2.1
  • Exact Mass:192.986
  • Monoisotopic Mass:192.986
  • Complexity:134
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:26A^2
  • Heavy Atom Count:11
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADcYBiAQAGAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAHQIQAAAADALBGCwwAIBAAACA AiBCAACCAAAgBQAIisAABogIICKBkhGAIABggAAIiAcQgAAOAAAAIAABAAQAAABAAAIACAAAAAAA AA==
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2,3-DICHLORO-6-FLUOROBENZYLAMINE
  • Purity:99%Packing: 200kg/bag FOB
  • Price:  
  • Time: 2019/11/25
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  • Tel:+1-(203)-786-5436
2,3-DICHLORO-6-FLUOROBENZYLAMINE
  • Purity:99%Packing: 200kg/bag FOB
  • Price:  
  • Time: 2019/11/25
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  • Tel:1372 360896
2,3-DICHLORO-6-FLUOROBENZYLAMINE
  • Purity:99%Packing: 200kg/bag FOB
  • Price:  
  • Time: 2019/11/25
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