CS-1090165
3-(4-Chlorobenzyl)-2-methyl-4H-pyran-4-one
Manufacturer: ChemScene
CAS Number: 400087-29-8
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Purity
≥95%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₁₃H₁₁ClO₂
Molecular Weight
234.68
Synonyms
None
SMILES
O=C1C=COC(=C1CC2=CC=C(Cl)C=C2)C
Tpsa
30.21
Logp
3.19242
H Acceptors
2
H Donors
0
Rotatable Bonds
2
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SAFETY INFORMATION
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: ≥95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₃H₁₁ClO₂
Molecular Weight: 234.68
Synonyms: None
SMILES: O=C1C=COC(=C1CC2=CC=C(Cl)C=C2)C
Tpsa: 30.21
Logp: 3.19242
H Acceptors: 2
H Donors: 0
Rotatable Bonds: 2
Purity:
≥95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₃H₁₁ClO₂
Molecular Weight:
234.68
Synonyms:
None
SMILES:
O=C1C=COC(=C1CC2=CC=C(Cl)C=C2)C
Tpsa:
30.21
Logp:
3.19242
H Acceptors:
2
H Donors:
0
Rotatable Bonds:
2
Purity: 90%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₁H₇F₃N₂O
Molecular Weight: 240.18
Synonyms: None
SMILES: O=C1N=CNC(=C1)C=2C=CC=C(C2)C(F)(F)F
Tpsa: 45.75
Logp: 2.4557
H Acceptors: 2
H Donors: 1
Rotatable Bonds: 1
Purity:
90%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₁H₇F₃N₂O
Molecular Weight:
240.18
Synonyms:
None
SMILES:
O=C1N=CNC(=C1)C=2C=CC=C(C2)C(F)(F)F
Tpsa:
45.75
Logp:
2.4557
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
1
Purity: 90%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₁₁N₃O₅
Molecular Weight: 241.20
Synonyms: None
SMILES: O=C(OCC)N(OC)C1=NC=CC=C1N(=O)=O
Tpsa: 94.8
Logp: 1.5141
H Acceptors: 6
H Donors: 0
Rotatable Bonds: 4
Purity:
90%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₁₁N₃O₅
Molecular Weight:
241.20
Synonyms:
None
SMILES:
O=C(OCC)N(OC)C1=NC=CC=C1N(=O)=O
Tpsa:
94.8
Logp:
1.5141
H Acceptors:
6
H Donors:
0
Rotatable Bonds:
4
Purity: 90%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₇H₁₁F₃N₄O
Molecular Weight: 224.18
Synonyms: None
SMILES: N#CC(=CN(C)C)C(O)(NN)C(F)(F)F
Tpsa: 85.31
Logp: -0.33032
H Acceptors: 5
H Donors: 3
Rotatable Bonds: 3
Purity:
90%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₇H₁₁F₃N₄O
Molecular Weight:
224.18
Synonyms:
None
SMILES:
N#CC(=CN(C)C)C(O)(NN)C(F)(F)F
Tpsa:
85.31
Logp:
-0.33032
H Acceptors:
5
H Donors:
3
Rotatable Bonds:
3