CS-1161248
1-(4-Chloro-5-methylisoxazol-3-yl)ethan-1-one
Manufacturer: ChemScene
CAS Number: 651355-11-2
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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
C₆H₆ClNO₂
Molecular Weight
159.57
Synonyms
None
SMILES
O=C(C1=NOC(=C1Cl)C)C
Tpsa
43.1
Logp
1.83902
H Acceptors
3
H Donors
0
Rotatable Bonds
1
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: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₆H₆ClNO₂
Molecular Weight: 159.57
Synonyms: None
SMILES: O=C(C1=NOC(=C1Cl)C)C
Tpsa: 43.1
Logp: 1.83902
H Acceptors: 3
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:
C₆H₆ClNO₂
Molecular Weight:
159.57
Synonyms:
None
SMILES:
O=C(C1=NOC(=C1Cl)C)C
Tpsa:
43.1
Logp:
1.83902
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
1
Purity: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₃H₂₁N₃
Molecular Weight: 219.33
Synonyms: None
SMILES: N=1C=C(N=C(NC2CCCC2)C1CC)CC
Tpsa: 37.81
Logp: 2.9559
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 4
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₃H₂₁N₃
Molecular Weight:
219.33
Synonyms:
None
SMILES:
N=1C=C(N=C(NC2CCCC2)C1CC)CC
Tpsa:
37.81
Logp:
2.9559
H Acceptors:
3
H Donors:
1
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: C₈H₉ClO₃S
Molecular Weight: 220.67
Synonyms: None
SMILES: O=S(=O)(C1=CC=C(OC)C(Cl)=C1)C
Tpsa: 43.37
Logp: 1.7521
H Acceptors: 3
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:
C₈H₉ClO₃S
Molecular Weight:
220.67
Synonyms:
None
SMILES:
O=S(=O)(C1=CC=C(OC)C(Cl)=C1)C
Tpsa:
43.37
Logp:
1.7521
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: C₈H₉N₃S
Molecular Weight: 179.24
Synonyms: None
SMILES: N=1C=NC2=C(C=CN2C)C1SC
Tpsa: 30.71
Logp: 1.6902
H Acceptors: 4
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:
C₈H₉N₃S
Molecular Weight:
179.24
Synonyms:
None
SMILES:
N=1C=NC2=C(C=CN2C)C1SC
Tpsa:
30.71
Logp:
1.6902
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
1