CS-0802895
Methyl 3-(chlorosulfonyl)-4-cyanobenzoate
Manufacturer: ChemScene
CAS Number: 2541644-91-9
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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
C₉H₆ClNO₄S
Molecular Weight
259.67
Synonyms
None
SMILES
COC(=O)C1=CC(=C(C#N)C=C1)S(=O)(=O)Cl
Tpsa
84.23
Logp
1.27238
H Acceptors
5
H Donors
0
Rotatable Bonds
2
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: C₉H₆ClNO₄S
Molecular Weight: 259.67
Synonyms: None
SMILES: COC(=O)C1=CC(=C(C#N)C=C1)S(=O)(=O)Cl
Tpsa: 84.23
Logp: 1.27238
H Acceptors: 5
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:
C₉H₆ClNO₄S
Molecular Weight:
259.67
Synonyms:
None
SMILES:
COC(=O)C1=CC(=C(C#N)C=C1)S(=O)(=O)Cl
Tpsa:
84.23
Logp:
1.27238
H Acceptors:
5
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: C₁₃H₁₃NO₅
Molecular Weight: 263.25
Synonyms: None
SMILES: O=C(OCC1=CC=CC=C1)NC2(C(O)=O)CC(=O)C2
Tpsa: 92.7
Logp: 1.0991
H Acceptors: 4
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:
C₁₃H₁₃NO₅
Molecular Weight:
263.25
Synonyms:
None
SMILES:
O=C(OCC1=CC=CC=C1)NC2(C(O)=O)CC(=O)C2
Tpsa:
92.7
Logp:
1.0991
H Acceptors:
4
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: C₁₀H₁₄O₃
Molecular Weight: 182.22
Synonyms: None
SMILES: OC(=O)C1C2(CCCCC2)C(=O)C1
Tpsa: 54.37
Logp: 1.6105
H Acceptors: 2
H Donors: 1
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:
C₁₀H₁₄O₃
Molecular Weight:
182.22
Synonyms:
None
SMILES:
OC(=O)C1C2(CCCCC2)C(=O)C1
Tpsa:
54.37
Logp:
1.6105
H Acceptors:
2
H Donors:
1
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: C₁₇H₁₈F₂N₄O₂
Molecular Weight: 348.35
Synonyms: None
SMILES: FC1=CC(=CC(F)=C1)C(=O)NCC(=O)N2CC3N(CC2)C(C)=C(C)N=3
Tpsa: 67.23
Logp: 1.55034
H Acceptors: 4
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:
C₁₇H₁₈F₂N₄O₂
Molecular Weight:
348.35
Synonyms:
None
SMILES:
FC1=CC(=CC(F)=C1)C(=O)NCC(=O)N2CC3N(CC2)C(C)=C(C)N=3
Tpsa:
67.23
Logp:
1.55034
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
3