CS-0530844
Methyl 3-(difluoromethyl)isoxazole-5-carboxylate
Manufacturer: ChemScene
CAS Number: 1936661-37-8
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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
C₆H₅F₂NO₃
Molecular Weight
177.11
Synonyms
None
SMILES
O=C(C1=CC(C(F)F)=NO1)OC
Tpsa
52.33
Logp
1.3988
H Acceptors
4
H Donors
0
Rotatable Bonds
2
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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
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: C₆H₅F₂NO₃
Molecular Weight: 177.11
Synonyms: None
SMILES: O=C(C1=CC(C(F)F)=NO1)OC
Tpsa: 52.33
Logp: 1.3988
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:
C₆H₅F₂NO₃
Molecular Weight:
177.11
Synonyms:
None
SMILES:
O=C(C1=CC(C(F)F)=NO1)OC
Tpsa:
52.33
Logp:
1.3988
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
2
Purity: 98%
MDL No: None
Storage: 4°C
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₁₁O₃P
Molecular Weight: 198.16
Synonyms: None
SMILES: O=C(C1=C(P(C)(C)=O)C=CC=C1)O
Tpsa: 54.37
Logp: 1.6328
H Acceptors: 2
H Donors: 1
Rotatable Bonds: 2
Purity:
98%
MDL No:
None
Storage:
4°C
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₁₁O₃P
Molecular Weight:
198.16
Synonyms:
None
SMILES:
O=C(C1=C(P(C)(C)=O)C=CC=C1)O
Tpsa:
54.37
Logp:
1.6328
H Acceptors:
2
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: C₅H₃BrN₄S
Molecular Weight: 231.07
Synonyms: None
SMILES: N#CC(N1)=C(Br)C(N)=NC1=S
Tpsa: 78.49
Logp: 1.35557
H Acceptors: 4
H Donors: 2
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:
C₅H₃BrN₄S
Molecular Weight:
231.07
Synonyms:
None
SMILES:
N#CC(N1)=C(Br)C(N)=NC1=S
Tpsa:
78.49
Logp:
1.35557
H Acceptors:
4
H Donors:
2
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: C₁₆H₁₈N₂O₁₀
Molecular Weight: 398.32
Synonyms: (2R,4R,5Z)-2-(Carboxymethyl)-5-(2-hydroxyethylidene)-3-[(2R,3Z,5R)-3-(2-hydroxyethylidene)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carbonyl]-1,3-oxazolidine-4-carboxylic acid
SMILES: O=C(N1[C@H](/C(O[C@@H]1CC(O)=O)=C/CO)C(O)=O)[C@@H]2N3[C@](CC3=O)([H])O/C2=C\CO
Tpsa: 174.14
Logp: -2.1912
H Acceptors: 8
H Donors: 4
Rotatable Bonds: 6
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₆H₁₈N₂O₁₀
Molecular Weight:
398.32
Synonyms:
(2R,4R,5Z)-2-(Carboxymethyl)-5-(2-hydroxyethylidene)-3-[(2R,3Z,5R)-3-(2-hydroxyethylidene)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carbonyl]-1,3-oxazolidine-4-carboxylic acid
SMILES:
O=C(N1[C@H](/C(O[C@@H]1CC(O)=O)=C/CO)C(O)=O)[C@@H]2N3[C@](CC3=O)([H])O/C2=C\CO
Tpsa:
174.14
Logp:
-2.1912
H Acceptors:
8
H Donors:
4
Rotatable Bonds:
6