CS-0999861
5-[(4-Fluorophenyl)methyl]-2,3-pyridinedicarboxylic acid
Manufacturer: ChemScene
CAS Number: 862508-85-8
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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
C₁₄H₁₀FNO₄
Molecular Weight
275.23
Synonyms
None
SMILES
O=C(O)C1=NC=C(C=C1C(=O)O)CC2=CC=C(F)C=C2
Tpsa
87.49
Logp
2.2079
H Acceptors
3
H Donors
2
Rotatable Bonds
4
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: C₁₄H₁₀FNO₄
Molecular Weight: 275.23
Synonyms: None
SMILES: O=C(O)C1=NC=C(C=C1C(=O)O)CC2=CC=C(F)C=C2
Tpsa: 87.49
Logp: 2.2079
H Acceptors: 3
H Donors: 2
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:
C₁₄H₁₀FNO₄
Molecular Weight:
275.23
Synonyms:
None
SMILES:
O=C(O)C1=NC=C(C=C1C(=O)O)CC2=CC=C(F)C=C2
Tpsa:
87.49
Logp:
2.2079
H Acceptors:
3
H Donors:
2
Rotatable Bonds:
4
Purity: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₁H₁₀BrFO₃
Molecular Weight: 289.10
Synonyms: None
SMILES: O=C(OCC)CC(=O)C1=CC(F)=CC=C1Br
Tpsa: 43.37
Logp: 2.7241
H Acceptors: 3
H Donors: 0
Rotatable Bonds: 4
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₁H₁₀BrFO₃
Molecular Weight:
289.10
Synonyms:
None
SMILES:
O=C(OCC)CC(=O)C1=CC(F)=CC=C1Br
Tpsa:
43.37
Logp:
2.7241
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
4
Purity: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₃₁H₄₃NO₄
Molecular Weight: 493.68
Synonyms: None
SMILES: O=C(OCC1C=2C=CC=CC2C=3C=CC=CC31)NCCCCCCCCCCCCCCCC(=O)O
Tpsa: 75.63
Logp: 8.0711
H Acceptors: 3
H Donors: 2
Rotatable Bonds: 18
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₁H₄₃NO₄
Molecular Weight:
493.68
Synonyms:
None
SMILES:
O=C(OCC1C=2C=CC=CC2C=3C=CC=CC31)NCCCCCCCCCCCCCCCC(=O)O
Tpsa:
75.63
Logp:
8.0711
H Acceptors:
3
H Donors:
2
Rotatable Bonds:
18
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₅₈H₅₅NO₁₄
Molecular Weight: 990.06
Synonyms: None
SMILES: O(CC1=CC=CC=C1)[C@@H]2[C@H]([C@H](OC3=CC=C(OC)C=C3)O[C@H](COCC4=CC=CC=C4)[C@H]2O[C@H]5[C@@H](OC(=O)C6=CC=CC=C6)[C@@H](OCC=C)[C@]7([C@](O5)(CO[C@H](O7)C8=CC=CC=C8)[H])[H])N9C(=O)C=%10C(C9=O)=CC=CC%10
Tpsa: 155.98
Logp: 8.287
H Acceptors: 14
H Donors: 0
Rotatable Bonds: 19
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₅₈H₅₅NO₁₄
Molecular Weight:
990.06
Synonyms:
None
SMILES:
O(CC1=CC=CC=C1)[C@@H]2[C@H]([C@H](OC3=CC=C(OC)C=C3)O[C@H](COCC4=CC=CC=C4)[C@H]2O[C@H]5[C@@H](OC(=O)C6=CC=CC=C6)[C@@H](OCC=C)[C@]7([C@](O5)(CO[C@H](O7)C8=CC=CC=C8)[H])[H])N9C(=O)C=%10C(C9=O)=CC=CC%10
Tpsa:
155.98
Logp:
8.287
H Acceptors:
14
H Donors:
0
Rotatable Bonds:
19