CS-0745563
6-Cyano-Benzo[b]thiophene-2-carboxylic acid
Manufacturer: ChemScene
CAS Number: 105212-28-0
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Purity
98%
MDL No
MFCD13180919
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₁₀H₅NO₂S
Molecular Weight
203.22
Synonyms
None
SMILES
OC(=O)C1=CC2=CC=C(C=C2S1)C#N
Tpsa
61.09
Logp
2.47118
H Acceptors
3
H Donors
1
Rotatable Bonds
1
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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
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Purity: 98%
MDL No: MFCD13180919
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₀H₅NO₂S
Molecular Weight: 203.22
Synonyms: None
SMILES: OC(=O)C1=CC2=CC=C(C=C2S1)C#N
Tpsa: 61.09
Logp: 2.47118
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 1
Purity:
98%
MDL No:
MFCD13180919
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₀H₅NO₂S
Molecular Weight:
203.22
Synonyms:
None
SMILES:
OC(=O)C1=CC2=CC=C(C=C2S1)C#N
Tpsa:
61.09
Logp:
2.47118
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
1
Purity: 98%
MDL No: MFCD11599198
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₀H₉NO₃
Molecular Weight: 191.18
Synonyms: None
SMILES: CN1C(=O)COC2=CC=C(C=O)C=C12
Tpsa: 46.61
Logp: 0.8543
H Acceptors: 3
H Donors: 0
Rotatable Bonds: 1
Purity:
98%
MDL No:
MFCD11599198
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₀H₉NO₃
Molecular Weight:
191.18
Synonyms:
None
SMILES:
CN1C(=O)COC2=CC=C(C=O)C=C12
Tpsa:
46.61
Logp:
0.8543
H Acceptors:
3
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: C₈H₅F₃N₂O₃
Molecular Weight: 234.13
Synonyms: None
SMILES: NC(=O)C1=CC(=CC(=C1)C(F)(F)F)[N+]([O-])=O
Tpsa: 86.23
Logp: 1.7125
H Acceptors: 3
H Donors: 1
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:
C₈H₅F₃N₂O₃
Molecular Weight:
234.13
Synonyms:
None
SMILES:
NC(=O)C1=CC(=CC(=C1)C(F)(F)F)[N+]([O-])=O
Tpsa:
86.23
Logp:
1.7125
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
2
Purity: 98%
MDL No: MFCD00084946
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₁H₁₂ClNO₃
Molecular Weight: 241.67
Synonyms: None
SMILES: COC1=CC=C(\C=C\C(N)=O)C(Cl)=C1OC
Tpsa: 61.55
Logp: 1.8557
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 4
Purity:
98%
MDL No:
MFCD00084946
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₁H₁₂ClNO₃
Molecular Weight:
241.67
Synonyms:
None
SMILES:
COC1=CC=C(\C=C\C(N)=O)C(Cl)=C1OC
Tpsa:
61.55
Logp:
1.8557
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
4