CS-0764814
6-Oxo-2-(Trifluoromethyl)-1,6-dihydropyrimidine-5-carboxylic acid
Manufacturer: ChemScene
CAS Number: 188781-49-9
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Purity
≥95%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₆H₃F₃N₂O₃
Molecular Weight
208.09
Synonyms
None
SMILES
OC(=O)C1=CN=C(NC1=O)C(F)(F)F
Tpsa
83.05
Logp
0.4869
H Acceptors
3
H Donors
2
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: ≥95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₆H₃F₃N₂O₃
Molecular Weight: 208.09
Synonyms: None
SMILES: OC(=O)C1=CN=C(NC1=O)C(F)(F)F
Tpsa: 83.05
Logp: 0.4869
H Acceptors: 3
H Donors: 2
Rotatable Bonds: 1
Purity:
≥95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₆H₃F₃N₂O₃
Molecular Weight:
208.09
Synonyms:
None
SMILES:
OC(=O)C1=CN=C(NC1=O)C(F)(F)F
Tpsa:
83.05
Logp:
0.4869
H Acceptors:
3
H Donors:
2
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: C₁₁H₁₇NO₃
Molecular Weight: 211.26
Synonyms: None
SMILES: CC(C)NC[C@@H](O)C1=CC=C(O)C(O)=C1
Tpsa: 72.72
Logp: 1.1292
H Acceptors: 4
H Donors: 4
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:
C₁₁H₁₇NO₃
Molecular Weight:
211.26
Synonyms:
None
SMILES:
CC(C)NC[C@@H](O)C1=CC=C(O)C(O)=C1
Tpsa:
72.72
Logp:
1.1292
H Acceptors:
4
H Donors:
4
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: C₅H₄BN₃O₂
Molecular Weight: 148.92
Synonyms: None
SMILES: OB(O)C1=CN=C(C=N1)C#N
Tpsa: 90.03
Logp: -1.97192
H Acceptors: 5
H Donors: 2
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:
C₅H₄BN₃O₂
Molecular Weight:
148.92
Synonyms:
None
SMILES:
OB(O)C1=CN=C(C=N1)C#N
Tpsa:
90.03
Logp:
-1.97192
H Acceptors:
5
H Donors:
2
Rotatable Bonds:
1
Purity: 98%
MDL No: None
Storage: -20°C, stored under nitrogen
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₂H₁₆BNO₃
Molecular Weight: 233.07
Synonyms: None
SMILES: CC1(C)OB(OC1(C)C)C1=CC=CC(C=O)=N1
Tpsa: 48.42
Logp: 1.1933
H Acceptors: 4
H Donors: 0
Rotatable Bonds: 2
Purity:
98%
MDL No:
None
Storage:
-20°C, stored under nitrogen
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₂H₁₆BNO₃
Molecular Weight:
233.07
Synonyms:
None
SMILES:
CC1(C)OB(OC1(C)C)C1=CC=CC(C=O)=N1
Tpsa:
48.42
Logp:
1.1933
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
2