CS-1001353
(6E)-6-[(2,6-Dichlorophenyl)imino]-3-oxo-1,4-cyclohexadiene-1-carboxaldehyde
Manufacturer: ChemScene
CAS Number: 1420774-71-5
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Purity
98%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₁₃H₇Cl₂NO₂
Molecular Weight
280.11
Synonyms
None
SMILES
N(=C\1/C(C=O)=CC(=O)C=C1)\C2=C(Cl)C=CC=C2Cl
Tpsa
46.5
Logp
3.3301
H Acceptors
3
H Donors
0
Rotatable Bonds
2
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SAFETY INFORMATION
ghsPictogramUrl
https://dev-s3.chemscene.com/web-image/physicalization/irritant.svg
Pictograms
Signal Word
Warning
UN Number
N/A
Class
N/A
Packing Group
N/A
Hazard Statements
Precautionary Statements
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
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Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₃H₇Cl₂NO₂
Molecular Weight: 280.11
Synonyms: None
SMILES: N(=C\1/C(C=O)=CC(=O)C=C1)\C2=C(Cl)C=CC=C2Cl
Tpsa: 46.5
Logp: 3.3301
H Acceptors: 3
H Donors: 0
Rotatable Bonds: 2
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₃H₇Cl₂NO₂
Molecular Weight:
280.11
Synonyms:
None
SMILES:
N(=C\1/C(C=O)=CC(=O)C=C1)\C2=C(Cl)C=CC=C2Cl
Tpsa:
46.5
Logp:
3.3301
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
2
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₁₀O
Molecular Weight: 134.18
Synonyms: None
SMILES: C[C@@H]1[C@H](O1)C2=CC=CC=C2
Tpsa: 12.53
Logp: 2.1464
H Acceptors: 1
H Donors: 0
Rotatable Bonds: 1
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₁₀O
Molecular Weight:
134.18
Synonyms:
None
SMILES:
C[C@@H]1[C@H](O1)C2=CC=CC=C2
Tpsa:
12.53
Logp:
2.1464
H Acceptors:
1
H Donors:
0
Rotatable Bonds:
1
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₈H₂₇NO₅S
Molecular Weight: 369.48
Synonyms: None
SMILES: O=C1[C@@]2([C@@]([C@@]3(C[C@]2(CC3)[H])[H])(C(=O)N1C[C@H]4[C@H](COS(C)(=O)=O)CCCC4)[H])[H]
Tpsa: 80.75
Logp: 1.8001
H Acceptors: 5
H Donors: 0
Rotatable Bonds: 5
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₈H₂₇NO₅S
Molecular Weight:
369.48
Synonyms:
None
SMILES:
O=C1[C@@]2([C@@]([C@@]3(C[C@]2(CC3)[H])[H])(C(=O)N1C[C@H]4[C@H](COS(C)(=O)=O)CCCC4)[H])[H]
Tpsa:
80.75
Logp:
1.8001
H Acceptors:
5
H Donors:
0
Rotatable Bonds:
5
Purity: ≥95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₈H₃₆O₆
Molecular Weight: 468.58
Synonyms: None
SMILES: O(C(/C=C(\OC(C)=O)/C)=O)[C@]1(C#C)[C@]2(C)[C@@](CC1)([C@]3([C@](CC2)([C@@]4(C(CC3)=C[C@@H](OC(C)=O)CC4)[H])[H])[H])[H]
Tpsa: 78.9
Logp: 4.8729
H Acceptors: 6
H Donors: 0
Rotatable Bonds: 4
Purity:
≥95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₈H₃₆O₆
Molecular Weight:
468.58
Synonyms:
None
SMILES:
O(C(/C=C(\OC(C)=O)/C)=O)[C@]1(C#C)[C@]2(C)[C@@](CC1)([C@]3([C@](CC2)([C@@]4(C(CC3)=C[C@@H](OC(C)=O)CC4)[H])[H])[H])[H]
Tpsa:
78.9
Logp:
4.8729
H Acceptors:
6
H Donors:
0
Rotatable Bonds:
4