CS-0904686
3-(4-Cyano-3-fluorophenyl)propanoic acid
Manufacturer: ChemScene
CAS Number: 219646-31-8
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Purity
≥95%
MDL No
MFCD28365528
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₁₀H₈FNO₂
Molecular Weight
193.17
Synonyms
None
SMILES
O=C(O)CCC1=CC=C(C#N)C(F)=C1
Tpsa
61.09
Logp
1.71458
H Acceptors
2
H Donors
1
Rotatable Bonds
3
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SAFETY INFORMATION
Pictograms
Signal Word
Danger
UN Number
2811
Class
6.1
Packing Group
Ⅲ
Hazard Statements
Precautionary Statements
P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P361-P403+P233-P405-P501
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Purity: ≥95%
MDL No: MFCD28365528
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₀H₈FNO₂
Molecular Weight: 193.17
Synonyms: None
SMILES: O=C(O)CCC1=CC=C(C#N)C(F)=C1
Tpsa: 61.09
Logp: 1.71458
H Acceptors: 2
H Donors: 1
Rotatable Bonds: 3
Purity:
≥95%
MDL No:
MFCD28365528
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₀H₈FNO₂
Molecular Weight:
193.17
Synonyms:
None
SMILES:
O=C(O)CCC1=CC=C(C#N)C(F)=C1
Tpsa:
61.09
Logp:
1.71458
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
3
Purity: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₅H₄N₆O₂
Molecular Weight: 180.12
Synonyms: None
SMILES: NC1=C2N=CNC2=NC([N+]([O-])=O)=N1
Tpsa: 123.62
Logp: -0.1567
H Acceptors: 6
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:
C₅H₄N₆O₂
Molecular Weight:
180.12
Synonyms:
None
SMILES:
NC1=C2N=CNC2=NC([N+]([O-])=O)=N1
Tpsa:
123.62
Logp:
-0.1567
H Acceptors:
6
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: C₁₁H₁₄N₂S
Molecular Weight: 206.31
Synonyms: Wy 24377
SMILES: S=C(C1C2=NC=CC(C)=C2CCC1)N
Tpsa: 38.91
Logp: 2.09602
H Acceptors: 2
H Donors: 1
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:
C₁₁H₁₄N₂S
Molecular Weight:
206.31
Synonyms:
Wy 24377
SMILES:
S=C(C1C2=NC=CC(C)=C2CCC1)N
Tpsa:
38.91
Logp:
2.09602
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
1
Purity: 98%
MDL No: None
Storage: Store at room temperature
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₃₃H₄₁N₃O₄
Molecular Weight: 543.70
Synonyms: None
SMILES: O=C(N[C@H](C(OC(C)(C)C)=O)CC(C)C)[C@@H](N)CC(NC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)=O
Tpsa: 110.52
Logp: 4.6847
H Acceptors: 5
H Donors: 3
Rotatable Bonds: 11
Purity:
98%
MDL No:
None
Storage:
Store at room temperature
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₃H₄₁N₃O₄
Molecular Weight:
543.70
Synonyms:
None
SMILES:
O=C(N[C@H](C(OC(C)(C)C)=O)CC(C)C)[C@@H](N)CC(NC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)=O
Tpsa:
110.52
Logp:
4.6847
H Acceptors:
5
H Donors:
3
Rotatable Bonds:
11