CS-0654322
3-(Benzylthio)-4-fluorobenzoic acid
Manufacturer: ChemScene
CAS Number: 1501034-63-4
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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
C₁₄H₁₁FO₂S
Molecular Weight
262.30
Synonyms
None
SMILES
O=C(O)C1=CC=C(F)C(SCC2=CC=CC=C2)=C1
Tpsa
37.3
Logp
3.8162
H Acceptors
2
H Donors
1
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: C₁₄H₁₁FO₂S
Molecular Weight: 262.30
Synonyms: None
SMILES: O=C(O)C1=CC=C(F)C(SCC2=CC=CC=C2)=C1
Tpsa: 37.3
Logp: 3.8162
H Acceptors: 2
H Donors: 1
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:
C₁₄H₁₁FO₂S
Molecular Weight:
262.30
Synonyms:
None
SMILES:
O=C(O)C1=CC=C(F)C(SCC2=CC=CC=C2)=C1
Tpsa:
37.3
Logp:
3.8162
H Acceptors:
2
H Donors:
1
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: C₁₃H₁₅BClF₃O₃
Molecular Weight: 322.52
Synonyms: None
SMILES: CC1(C)C(C)(C)OB(C2=C(F)C=C(Cl)C=C2OC(F)F)O1
Tpsa: 27.69
Logp: 3.3797
H Acceptors: 3
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:
C₁₃H₁₅BClF₃O₃
Molecular Weight:
322.52
Synonyms:
None
SMILES:
CC1(C)C(C)(C)OB(C2=C(F)C=C(Cl)C=C2OC(F)F)O1
Tpsa:
27.69
Logp:
3.3797
H Acceptors:
3
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: C₈H₉FO₂
Molecular Weight: 156.15
Synonyms: None
SMILES: C[C@H](C1=C(C=CC(F)=C1)O)O
Tpsa: 40.46
Logp: 1.5846
H Acceptors: 2
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:
C₈H₉FO₂
Molecular Weight:
156.15
Synonyms:
None
SMILES:
C[C@H](C1=C(C=CC(F)=C1)O)O
Tpsa:
40.46
Logp:
1.5846
H Acceptors:
2
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: C₉H₆BrF₅
Molecular Weight: 289.04
Synonyms: None
SMILES: FC(C1=CC(C(F)(F)C)=CC(Br)=C1)(F)F
Tpsa: 0
Logp: 4.5796
H Acceptors: 0
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:
C₉H₆BrF₅
Molecular Weight:
289.04
Synonyms:
None
SMILES:
FC(C1=CC(C(F)(F)C)=CC(Br)=C1)(F)F
Tpsa:
0
Logp:
4.5796
H Acceptors:
0
H Donors:
0
Rotatable Bonds:
1