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Agrochemical Intermediates
chloride
CAS:
1286744-00-0
MW:
377.607g/mol
MF:
C8H10ClF10NO2
 
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Names and ldentifier
Computational chemical data
Realated Product Infomation
1. Names and Identifiers
1.1 Name
chloride
1.2 Synonyms
bis[2-pentafluoroethoxy)ethyl]amine hydrochloride; mfcd17677134;
1.3 CAS No.
1286744-00-0
1.4 CID
121233919
1.5 Molecular Formula
C8H10ClF10NO2
1.6 Inchi
InChI=1S/C8H9F10NO2.ClH/c9-5(10,11)7(15,16)20-3-1-19-2-4-21-8(17,18)6(12,13)14;/h19H,1-4H2;1H
1.7 InChkey
QJFVSNRPXPKZJK-UHFFFAOYSA-N
1.8 Canonical Smiles
C(COC(C(F)(F)F)(F)F)NCCOC(C(F)(F)F)(F)F.Cl
1.9 Isomers Smiles
C(COC(C(F)(F)F)(F)F)NCCOC(C(F)(F)F)(F)F.Cl
2. Computed Properties
Molecular Weight:
377.607g/molg/mol
Molecular Formula:
C
8
H
10
ClF
10
NO
2
Compound Is Canonicalized:
True
XLogP3-AA:
377.0240379
Monoisotopic Mass:
377.0240379
Complexity:
283
Rotatable Bond Count:
8
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
13
Topological Polar Surface Area:
30.5
Heavy Atom Count::
22
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:
2
CACTVS Substructure Key Fingerprint:
AAADccByMcAEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHwAQAAAAAADhgBYAAALABAAAAAAAAAAAAAAAAAAAAIAIAAACAAAAAAADAAAAEACQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
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4. Realated Product Infomation
Lithium chloride-potassium chloride
cas:65567-96-6
Isopropylmagnesium chloride lithium chloride complex
cas:745038-86-2
sec-Butylmagnesium Chloride - Lithium Chloride
cas:1032768-06-1
2,2,6,6-Tetramethylpiperidinylmagnesium chloride lithium chloride complex
cas:898838-07-8
TITANIUM(III) CHLORIDE-ALUMINUM(III) CHLORIDE
cas:12003-13-3
POLY(VINYLIDENE CHLORIDE-CO-VINYL CHLORIDE)
cas:9011-06-7
1. Names and Identifiers
1.1 Name
1.2 Synonyms
1.3 CAS No.
1.4 Molecular Formula
1.5 Inchi
1.6 InChkey
1.7 Canonical Smiles
1.8 Isomers Smiles
2.
Computational chemical data
3.
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4.
Realated Product Infomation
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