CS-0646034
3-Chloro-5-methylisoxazole-4-carboxylic acid
Manufacturer: ChemScene
CAS Number: 16880-29-8
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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
C₅H₄ClNO₃
Molecular Weight
161.54
Synonyms
None
SMILES
O=C(C1=C(C)ON=C1Cl)O
Tpsa
63.33
Logp
1.33462
H Acceptors
3
H Donors
1
Rotatable Bonds
1
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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
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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: C₅H₄ClNO₃
Molecular Weight: 161.54
Synonyms: None
SMILES: O=C(C1=C(C)ON=C1Cl)O
Tpsa: 63.33
Logp: 1.33462
H Acceptors: 3
H Donors: 1
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:
C₅H₄ClNO₃
Molecular Weight:
161.54
Synonyms:
None
SMILES:
O=C(C1=C(C)ON=C1Cl)O
Tpsa:
63.33
Logp:
1.33462
H Acceptors:
3
H Donors:
1
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: C₉H₁₂F₂O₂
Molecular Weight: 190.19
Synonyms: None
SMILES: O=C([C@H](CC1)CC[C@]21CC2(F)F)O
Tpsa: 37.3
Logp: 2.2866
H Acceptors: 1
H Donors: 1
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:
C₉H₁₂F₂O₂
Molecular Weight:
190.19
Synonyms:
None
SMILES:
O=C([C@H](CC1)CC[C@]21CC2(F)F)O
Tpsa:
37.3
Logp:
2.2866
H Acceptors:
1
H Donors:
1
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: C₅H₁₃ClN₂O₂S
Molecular Weight: 200.69
Synonyms: None
SMILES: NS(=O)([C@@H]1CCCNC1)=O.Cl
Tpsa: 72.19
Logp: -0.5513
H Acceptors: 3
H Donors: 2
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:
C₅H₁₃ClN₂O₂S
Molecular Weight:
200.69
Synonyms:
None
SMILES:
NS(=O)([C@@H]1CCCNC1)=O.Cl
Tpsa:
72.19
Logp:
-0.5513
H Acceptors:
3
H Donors:
2
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: C₆H₆ClNO₃
Molecular Weight: 175.57
Synonyms: None
SMILES: O=C(C1=NOC=C1Cl)OCC
Tpsa: 52.33
Logp: 1.5047
H Acceptors: 4
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:
C₆H₆ClNO₃
Molecular Weight:
175.57
Synonyms:
None
SMILES:
O=C(C1=NOC=C1Cl)OCC
Tpsa:
52.33
Logp:
1.5047
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
2