CS-1063700
3-(4-Iodobut-1-yn-1-yl)isoxazole-5-carboxylic acid
Manufacturer: ChemScene
CAS Number: 2581753-24-2
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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
C₈H₆INO₃
Molecular Weight
291.04
Synonyms
None
SMILES
O=C(O)C=1ON=C(C#CCCI)C1
Tpsa
63.33
Logp
1.5494
H Acceptors
3
H Donors
1
Rotatable Bonds
2
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: C₈H₆INO₃
Molecular Weight: 291.04
Synonyms: None
SMILES: O=C(O)C=1ON=C(C#CCCI)C1
Tpsa: 63.33
Logp: 1.5494
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:
C₈H₆INO₃
Molecular Weight:
291.04
Synonyms:
None
SMILES:
O=C(O)C=1ON=C(C#CCCI)C1
Tpsa:
63.33
Logp:
1.5494
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: C₉H₉ClF₃N₅
Molecular Weight: 279.65
Synonyms: None
SMILES: FC(F)(F)C(C)CC1=NC=2N=C(N=C(Cl)C2N1)N
Tpsa: 80.48
Logp: 2.3294
H Acceptors: 4
H Donors: 2
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:
C₉H₉ClF₃N₅
Molecular Weight:
279.65
Synonyms:
None
SMILES:
FC(F)(F)C(C)CC1=NC=2N=C(N=C(Cl)C2N1)N
Tpsa:
80.48
Logp:
2.3294
H Acceptors:
4
H Donors:
2
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: C₁₁H₇ClF₃N
Molecular Weight: 245.63
Synonyms: None
SMILES: FC(F)(F)CC1=CN=C2C(Cl)=CC=CC2=C1
Tpsa: 12.89
Logp: 3.993
H Acceptors: 1
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:
C₁₁H₇ClF₃N
Molecular Weight:
245.63
Synonyms:
None
SMILES:
FC(F)(F)CC1=CN=C2C(Cl)=CC=CC2=C1
Tpsa:
12.89
Logp:
3.993
H Acceptors:
1
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: C₁₁H₁₆ClN₃O
Molecular Weight: 241.72
Synonyms: None
SMILES: ClC1COCCC21NCCC=3C=NN(C32)C
Tpsa: 39.08
Logp: 0.7888
H Acceptors: 4
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:
C₁₁H₁₆ClN₃O
Molecular Weight:
241.72
Synonyms:
None
SMILES:
ClC1COCCC21NCCC=3C=NN(C32)C
Tpsa:
39.08
Logp:
0.7888
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
0