CS-0998090
4-(Difluoromethyl)isoxazole-3-carboxylic acid
Manufacturer: ChemScene
CAS Number: 1780911-73-0
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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
C₅H₃F₂NO₃
Molecular Weight
163.08
Synonyms
None
SMILES
O=C(C1=NOC=C1C(F)F)O
Tpsa
63.33
Logp
1.3104
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: C₅H₃F₂NO₃
Molecular Weight: 163.08
Synonyms: None
SMILES: O=C(C1=NOC=C1C(F)F)O
Tpsa: 63.33
Logp: 1.3104
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:
C₅H₃F₂NO₃
Molecular Weight:
163.08
Synonyms:
None
SMILES:
O=C(C1=NOC=C1C(F)F)O
Tpsa:
63.33
Logp:
1.3104
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: C₉H₇LiN₂O₂
Molecular Weight: 182.11
Synonyms: None
SMILES: O=C([O-])C(CC#N)C1=NC=CC=C1.[Li+]
Tpsa: 76.81
Logp: -3.16722
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:
C₉H₇LiN₂O₂
Molecular Weight:
182.11
Synonyms:
None
SMILES:
O=C([O-])C(CC#N)C1=NC=CC=C1.[Li+]
Tpsa:
76.81
Logp:
-3.16722
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: C₇H₇ClFNO₂
Molecular Weight: 191.59
Synonyms: None
SMILES: NC1=C2OCOC2=CC=C1F.Cl
Tpsa: 44.48
Logp: 1.5584
H Acceptors: 3
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:
C₇H₇ClFNO₂
Molecular Weight:
191.59
Synonyms:
None
SMILES:
NC1=C2OCOC2=CC=C1F.Cl
Tpsa:
44.48
Logp:
1.5584
H Acceptors:
3
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: C₆H₇BrN₂O₂
Molecular Weight: 219.04
Synonyms: None
SMILES: O=C(O)[C@@H](C)N1N=CC(Br)=C1
Tpsa: 55.12
Logp: 1.2912
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:
C₆H₇BrN₂O₂
Molecular Weight:
219.04
Synonyms:
None
SMILES:
O=C(O)[C@@H](C)N1N=CC(Br)=C1
Tpsa:
55.12
Logp:
1.2912
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
2