CS-0873662
3-(3-Chloro-6-fluorobenzo[b]thiophen-2-yl)-3-oxopropanenitrile
Manufacturer: ChemScene
CAS Number: 914635-95-3
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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
C₁₁H₅ClFNOS
Molecular Weight
253.68
Synonyms
None
SMILES
C1=CC2=C(C=C1F)SC(=C2Cl)C(=O)CC#N
Tpsa
40.86
Logp
3.79018
H Acceptors
3
H Donors
0
Rotatable Bonds
2
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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: C₁₁H₅ClFNOS
Molecular Weight: 253.68
Synonyms: None
SMILES: C1=CC2=C(C=C1F)SC(=C2Cl)C(=O)CC#N
Tpsa: 40.86
Logp: 3.79018
H Acceptors: 3
H Donors: 0
Rotatable Bonds: 2
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₁H₅ClFNOS
Molecular Weight:
253.68
Synonyms:
None
SMILES:
C1=CC2=C(C=C1F)SC(=C2Cl)C(=O)CC#N
Tpsa:
40.86
Logp:
3.79018
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
2
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₄H₃Br₂F₃
Molecular Weight: 267.87
Synonyms: None
SMILES: C(/C(=C/C(F)(F)Br)/F)Br
Tpsa: 0
Logp: 3.2224
H Acceptors: 0
H Donors: 0
Rotatable Bonds: 2
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₄H₃Br₂F₃
Molecular Weight:
267.87
Synonyms:
None
SMILES:
C(/C(=C/C(F)(F)Br)/F)Br
Tpsa:
0
Logp:
3.2224
H Acceptors:
0
H Donors:
0
Rotatable Bonds:
2
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₃H₉F₃N₂O₄S
Molecular Weight: 346.28
Synonyms: None
SMILES: C1=CC(=CC=C1N)S(=O)(=O)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]
Tpsa: 103.3
Logp: 3.0286
H Acceptors: 5
H Donors: 1
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:
C₁₃H₉F₃N₂O₄S
Molecular Weight:
346.28
Synonyms:
None
SMILES:
C1=CC(=CC=C1N)S(=O)(=O)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]
Tpsa:
103.3
Logp:
3.0286
H Acceptors:
5
H Donors:
1
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: C₇H₂ClF₃N₂O₄
Molecular Weight: 270.55
Synonyms: None
SMILES: C1=CC(=C(C(=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])Cl
Tpsa: 86.28
Logp: 3.1752
H Acceptors: 4
H Donors: 0
Rotatable Bonds: 2
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₇H₂ClF₃N₂O₄
Molecular Weight:
270.55
Synonyms:
None
SMILES:
C1=CC(=C(C(=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])Cl
Tpsa:
86.28
Logp:
3.1752
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
2