CS-1004397
1-(4-Chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)-3-pentanone
Manufacturer: ChemScene
CAS Number: 63190-87-4
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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
C₁₅H₁₈ClN₃O
Molecular Weight
291.78
Synonyms
None
SMILES
O=C(C(N1N=CN=C1)CC2=CC=C(Cl)C=C2)C(C)(C)C
Tpsa
47.78
Logp
3.3305
H Acceptors
4
H Donors
0
Rotatable Bonds
4
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 63190-87-4 | 3-Pentanone, 1-(4-chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)- | A2B Chem | -- |
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SAFETY INFORMATION
ghsPictogramUrl
https://dev-s3.chemscene.com/web-image/physicalization/environmentally-damaging.svg
Pictograms
Signal Word
Warning
UN Number
N/A
Class
N/A
Packing Group
N/A
Hazard Statements
Precautionary Statements
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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: C₁₅H₁₈ClN₃O
Molecular Weight: 291.78
Synonyms: None
SMILES: O=C(C(N1N=CN=C1)CC2=CC=C(Cl)C=C2)C(C)(C)C
Tpsa: 47.78
Logp: 3.3305
H Acceptors: 4
H Donors: 0
Rotatable Bonds: 4
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₅H₁₈ClN₃O
Molecular Weight:
291.78
Synonyms:
None
SMILES:
O=C(C(N1N=CN=C1)CC2=CC=C(Cl)C=C2)C(C)(C)C
Tpsa:
47.78
Logp:
3.3305
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
4
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₈H₂₂O₆
Molecular Weight: 334.36
Synonyms: None
SMILES: O(C=1C=CC(=C(OC)C1OC)C2=CC=C(OC)C(OC)=C2OC)C
Tpsa: 55.38
Logp: 3.4052
H Acceptors: 6
H Donors: 0
Rotatable Bonds: 7
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₈H₂₂O₆
Molecular Weight:
334.36
Synonyms:
None
SMILES:
O(C=1C=CC(=C(OC)C1OC)C2=CC=C(OC)C(OC)=C2OC)C
Tpsa:
55.38
Logp:
3.4052
H Acceptors:
6
H Donors:
0
Rotatable Bonds:
7
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₆H₂₀N₂O₃
Molecular Weight: 288.34
Synonyms: None
SMILES: O=C1C=CC=2C(=CC=C(O)C2N1)C(=O)C(NC(C)C)CC
Tpsa: 82.19
Logp: 2.193
H Acceptors: 4
H Donors: 3
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:
C₁₆H₂₀N₂O₃
Molecular Weight:
288.34
Synonyms:
None
SMILES:
O=C1C=CC=2C(=CC=C(O)C2N1)C(=O)C(NC(C)C)CC
Tpsa:
82.19
Logp:
2.193
H Acceptors:
4
H Donors:
3
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: C₁₂H₂₂O₇S
Molecular Weight: 310.36
Synonyms: None
SMILES: O=C(OCC(CC)CCCC)CC(C(=O)O)S(=O)(=O)O
Tpsa: 117.97
Logp: 1.4771
H Acceptors: 5
H Donors: 2
Rotatable Bonds: 10
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₂H₂₂O₇S
Molecular Weight:
310.36
Synonyms:
None
SMILES:
O=C(OCC(CC)CCCC)CC(C(=O)O)S(=O)(=O)O
Tpsa:
117.97
Logp:
1.4771
H Acceptors:
5
H Donors:
2
Rotatable Bonds:
10