CS-1063790
3-(3-Bromoprop-1-yn-1-yl)isoxazole-5-carboxylic acid
Manufacturer: ChemScene
CAS Number: 2583732-15-2
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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
C₇H₄BrNO₃
Molecular Weight
230.02
Synonyms
None
SMILES
O=C(O)C=1ON=C(C#CCBr)C1
Tpsa
63.33
Logp
1.1192
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: C₇H₄BrNO₃
Molecular Weight: 230.02
Synonyms: None
SMILES: O=C(O)C=1ON=C(C#CCBr)C1
Tpsa: 63.33
Logp: 1.1192
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:
C₇H₄BrNO₃
Molecular Weight:
230.02
Synonyms:
None
SMILES:
O=C(O)C=1ON=C(C#CCBr)C1
Tpsa:
63.33
Logp:
1.1192
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: C₁₂H₁₁BrN₂O₂
Molecular Weight: 295.13
Synonyms: None
SMILES: O=C(OCC)CC=1C=NC2=NC=C(Br)C=C2C1
Tpsa: 52.08
Logp: 2.4979
H Acceptors: 4
H Donors: 0
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:
C₁₂H₁₁BrN₂O₂
Molecular Weight:
295.13
Synonyms:
None
SMILES:
O=C(OCC)CC=1C=NC2=NC=C(Br)C=C2C1
Tpsa:
52.08
Logp:
2.4979
H Acceptors:
4
H Donors:
0
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: C₁₂H₁₂FNO
Molecular Weight: 205.23
Synonyms: None
SMILES: FC1=CC=CC=2N=C(C(=CC12)C)COC
Tpsa: 22.12
Logp: 2.82872
H Acceptors: 2
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:
C₁₂H₁₂FNO
Molecular Weight:
205.23
Synonyms:
None
SMILES:
FC1=CC=CC=2N=C(C(=CC12)C)COC
Tpsa:
22.12
Logp:
2.82872
H Acceptors:
2
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: C₇H₉N₅O₄S₂
Molecular Weight: 291.31
Synonyms: None
SMILES: O=C1C2=C(N=C([C@H](CS(=O)(=O)O)N)N2)NC(=S)N1
Tpsa: 157.72
Logp: -0.80361
H Acceptors: 6
H Donors: 5
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:
C₇H₉N₅O₄S₂
Molecular Weight:
291.31
Synonyms:
None
SMILES:
O=C1C2=C(N=C([C@H](CS(=O)(=O)O)N)N2)NC(=S)N1
Tpsa:
157.72
Logp:
-0.80361
H Acceptors:
6
H Donors:
5
Rotatable Bonds:
3