Benzene,1-[(3-chlor...

Benzene,1-[(3-chloro-2-propen-1-yl)oxy]-4-methoxy- 5335-21-7

Benzene,1-[(3-chloro-2-propen-1-yl)oxy]-4-methoxy- 5335-21-7

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Keywords

Benzene,1-[(3-chloro-2-propen-1-yl)oxy]-4-methoxy- Benzene,1-[(3-chloro-2-propen-1-yl)oxy]-4-methoxy- 5335-21-7

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  • Appearance:Solid
  • Application:Organic Chemicals
  • PackAge:as requested
  • ProductionCapacity:100|Kilogram|Month
  • Storage:room temperature
  • Transportation:as requested

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Details:

Identification and Related Records
【Name】
Benzene,1-[(3-chloro-2-propen-1-yl)oxy]-4-methoxy-
【Iupac name】
1-[(Z)-3-chloroprop-2-enoxy]-4-methoxybenzene
【CAS Registry number】
5335-21-7
【Synonyms】
Benzene,1-[(3-chloroallyl)oxy]-4-methoxy- (8CI)
NSC 2896
【Molecular Formula】
C10H11 Cl O2 (Products with the same molecular formula)
【Molecular Weight】
198.6461
【Inchi】
InChI=1/C10H11ClO2/c1-12-9-3-5-10(6-4-9)13-8-2-7-11/h2-7H,8H2,1H3/b7-2-
【Canonical SMILES】
COC1=CC=C(C=C1)OCC=CCl
【Isomers smiles】
COC1=CC=C(C=C1)OC/C=C\Cl
Chemical and Physical Properties
【Density】
1.132g/cm3
【Boiling Point】
304.2°Cat760mmHg
【Refractive Index】
1.525
【Flash Point】
123.9°C
【Computed Properties】
Molecular Weight:198.64614 [g/mol]
Molecular Formula:C10H11ClO2
XLogP3-AA:2.8
H-Bond Donor:0
H-Bond Acceptor:2
Rotatable Bond Count:4
Exact Mass:198.044757
MonoIsotopic Mass:198.044757
Topological Polar Surface Area:18.5
Heavy Atom Count:13
Formal Charge:0
Complexity:151
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:1
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:2
Feature 3D Ring Count:1
Effective Rotor Count:4
Conformer Sampling RMSD:0.6
CID Conformer Count:44

 

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