CS-0509486
3-(4-Chloro-2-fluorophenyl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4(1H,3H)-dione
Manufacturer: ChemScene
CAS Number: 114136-66-2
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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
C₁₂H₇ClF₄N₂O₂
Molecular Weight
322.64
Synonyms
3-(4-Chloro-2-fluorophenyl)-1-methyl-6-(trifluoromethyl)-2,4(1H,3H)-pyrimidinedione
SMILES
O=C1N(C2=CC=C(Cl)C=C2F)C(C=C(C(F)(F)F)N1C)=O
Tpsa
44
Logp
2.3475
H Acceptors
4
H Donors
0
Rotatable Bonds
1
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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: C₁₂H₇ClF₄N₂O₂
Molecular Weight: 322.64
Synonyms: 3-(4-Chloro-2-fluorophenyl)-1-methyl-6-(trifluoromethyl)-2,4(1H,3H)-pyrimidinedione
SMILES: O=C1N(C2=CC=C(Cl)C=C2F)C(C=C(C(F)(F)F)N1C)=O
Tpsa: 44
Logp: 2.3475
H Acceptors: 4
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:
C₁₂H₇ClF₄N₂O₂
Molecular Weight:
322.64
Synonyms:
3-(4-Chloro-2-fluorophenyl)-1-methyl-6-(trifluoromethyl)-2,4(1H,3H)-pyrimidinedione
SMILES:
O=C1N(C2=CC=C(Cl)C=C2F)C(C=C(C(F)(F)F)N1C)=O
Tpsa:
44
Logp:
2.3475
H Acceptors:
4
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: C₁₆H₂₂INO₁₀
Molecular Weight: 515.25
Synonyms: N-Iodoacetylglucosamine tetraacetate
SMILES: O=C[C@@H]([C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)COC(C)=O)NC(CI)=O
Tpsa: 151.37
Logp: -0.5367
H Acceptors: 10
H Donors: 1
Rotatable Bonds: 11
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₆H₂₂INO₁₀
Molecular Weight:
515.25
Synonyms:
N-Iodoacetylglucosamine tetraacetate
SMILES:
O=C[C@@H]([C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)COC(C)=O)NC(CI)=O
Tpsa:
151.37
Logp:
-0.5367
H Acceptors:
10
H Donors:
1
Rotatable Bonds:
11
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₇H₁₂O₃
Molecular Weight: 144.17
Synonyms: rac-2-Methyl-3-oxa-5-hexensaeure-methylester
SMILES: CC(OCC=C)C(OC)=O
Tpsa: 35.53
Logp: 0.7505
H Acceptors: 3
H Donors: 0
Rotatable Bonds: 4
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₇H₁₂O₃
Molecular Weight:
144.17
Synonyms:
rac-2-Methyl-3-oxa-5-hexensaeure-methylester
SMILES:
CC(OCC=C)C(OC)=O
Tpsa:
35.53
Logp:
0.7505
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
4
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₈H₇BrN₂O
Molecular Weight: 227.06
Synonyms: None
SMILES: N#CC1=C(C)C(Br)=CN(C)C1=O
Tpsa: 45.79
Logp: 1.3279
H Acceptors: 3
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:
C₈H₇BrN₂O
Molecular Weight:
227.06
Synonyms:
None
SMILES:
N#CC1=C(C)C(Br)=CN(C)C1=O
Tpsa:
45.79
Logp:
1.3279
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
0