CS-1064023
3-(3-Chloroprop-1-yn-1-yl)isoxazole-5-carboxylic acid
Manufacturer: ChemScene
CAS Number: 2593447-78-8
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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
C₇H₄ClNO₃
Molecular Weight
185.56
Synonyms
None
SMILES
O=C(O)C=1ON=C(C#CCCl)C1
Tpsa
63.33
Logp
0.9631
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: C₇H₄ClNO₃
Molecular Weight: 185.56
Synonyms: None
SMILES: O=C(O)C=1ON=C(C#CCCl)C1
Tpsa: 63.33
Logp: 0.9631
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:
C₇H₄ClNO₃
Molecular Weight:
185.56
Synonyms:
None
SMILES:
O=C(O)C=1ON=C(C#CCCl)C1
Tpsa:
63.33
Logp:
0.9631
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: C₁₂H₅F₄N
Molecular Weight: 239.17
Synonyms: None
SMILES: FC1=CC=CC=2C(C#CC(F)(F)F)=CN=CC12
Tpsa: 12.89
Logp: 3.2877
H Acceptors: 1
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:
C₁₂H₅F₄N
Molecular Weight:
239.17
Synonyms:
None
SMILES:
FC1=CC=CC=2C(C#CC(F)(F)F)=CN=CC12
Tpsa:
12.89
Logp:
3.2877
H Acceptors:
1
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: C₈H₆ClNO₃
Molecular Weight: 199.59
Synonyms: None
SMILES: O=C(O)C=1ON=C(C#CC(Cl)C)C1
Tpsa: 63.33
Logp: 1.3516
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=1ON=C(C#CC(Cl)C)C1
Tpsa:
63.33
Logp:
1.3516
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: C₁₂H₉FO₂
Molecular Weight: 204.20
Synonyms: None
SMILES: C(#C[C@H](C)O)C1=C2C(=C(F)C=C1)C=CO2
Tpsa: 33.37
Logp: 2.3042
H Acceptors: 2
H Donors: 1
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:
C₁₂H₉FO₂
Molecular Weight:
204.20
Synonyms:
None
SMILES:
C(#C[C@H](C)O)C1=C2C(=C(F)C=C1)C=CO2
Tpsa:
33.37
Logp:
2.3042
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
0