CS-1064892
3-(3-Chloroprop-1-yn-1-yl)-5-methylisoxazole-4-carboxylic acid
Manufacturer: ChemScene
CAS Number: 2608812-27-5
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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
C₈H₆ClNO₃
Molecular Weight
199.59
Synonyms
None
SMILES
O=C(O)C=1C(C#CCCl)=NOC1C
Tpsa
63.33
Logp
1.27152
H Acceptors
3
H Donors
1
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: C₈H₆ClNO₃
Molecular Weight: 199.59
Synonyms: None
SMILES: O=C(O)C=1C(C#CCCl)=NOC1C
Tpsa: 63.33
Logp: 1.27152
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:
C₈H₆ClNO₃
Molecular Weight:
199.59
Synonyms:
None
SMILES:
O=C(O)C=1C(C#CCCl)=NOC1C
Tpsa:
63.33
Logp:
1.27152
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: C₁₂H₁₁FN₂
Molecular Weight: 202.23
Synonyms: None
SMILES: FC=1C=C(C#CC)C2=C(N=C(N2C)C)C1
Tpsa: 17.82
Logp: 2.39222
H Acceptors: 2
H Donors: 0
Rotatable Bonds: 0
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₂H₁₁FN₂
Molecular Weight:
202.23
Synonyms:
None
SMILES:
FC=1C=C(C#CC)C2=C(N=C(N2C)C)C1
Tpsa:
17.82
Logp:
2.39222
H Acceptors:
2
H Donors:
0
Rotatable Bonds:
0
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₄H₁₄N₂O₂
Molecular Weight: 242.27
Synonyms: None
SMILES: O=C(O)C1=CC(C#CC)=CC2=C1C=NN2C(C)C
Tpsa: 55.12
Logp: 2.6868
H Acceptors: 3
H Donors: 1
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:
C₁₄H₁₄N₂O₂
Molecular Weight:
242.27
Synonyms:
None
SMILES:
O=C(O)C1=CC(C#CC)=CC2=C1C=NN2C(C)C
Tpsa:
55.12
Logp:
2.6868
H Acceptors:
3
H Donors:
1
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: C₁₅H₂₂N₂OS
Molecular Weight: 278.41
Synonyms: None
SMILES: O=C(C(=CN(C)C)C1(NCC(C=2SC=CC21)C)C)C
Tpsa: 32.34
Logp: 2.7045
H Acceptors: 4
H Donors: 1
Rotatable Bonds: 3
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₅H₂₂N₂OS
Molecular Weight:
278.41
Synonyms:
None
SMILES:
O=C(C(=CN(C)C)C1(NCC(C=2SC=CC21)C)C)C
Tpsa:
32.34
Logp:
2.7045
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
3