CS-0753892
4-Chloroisoquinoline-5-carbonitrile
Manufacturer: ChemScene
CAS Number: 1231761-27-5
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Purity
95%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₁₀H₅ClN₂
Molecular Weight
188.61
Synonyms
None
SMILES
ClC1=C2C(C=CC=C2C#N)=CN=C1
Tpsa
36.68
Logp
2.75988
H Acceptors
2
H Donors
0
Rotatable Bonds
0
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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: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₀H₅ClN₂
Molecular Weight: 188.61
Synonyms: None
SMILES: ClC1=C2C(C=CC=C2C#N)=CN=C1
Tpsa: 36.68
Logp: 2.75988
H Acceptors: 2
H Donors: 0
Rotatable Bonds: 0
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₀H₅ClN₂
Molecular Weight:
188.61
Synonyms:
None
SMILES:
ClC1=C2C(C=CC=C2C#N)=CN=C1
Tpsa:
36.68
Logp:
2.75988
H Acceptors:
2
H Donors:
0
Rotatable Bonds:
0
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₆H₉ClN₂O
Molecular Weight: 160.60
Synonyms: None
SMILES: Cl.C1CC2=C(CN1)ON=C2
Tpsa: 38.06
Logp: 0.7421
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 0
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₆H₉ClN₂O
Molecular Weight:
160.60
Synonyms:
None
SMILES:
Cl.C1CC2=C(CN1)ON=C2
Tpsa:
38.06
Logp:
0.7421
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
0
Purity: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₈H₁₀O₄S
Molecular Weight: 202.23
Synonyms: None
SMILES: COC1=CC=C(CS(O)(=O)=O)C=C1
Tpsa: 63.6
Logp: 1.083
H Acceptors: 3
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:
C₈H₁₀O₄S
Molecular Weight:
202.23
Synonyms:
None
SMILES:
COC1=CC=C(CS(O)(=O)=O)C=C1
Tpsa:
63.6
Logp:
1.083
H Acceptors:
3
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: C₃H₃N₃O₃
Molecular Weight: 129.07
Synonyms: None
SMILES: NC1=NC(=NO1)C(O)=O
Tpsa: 102.24
Logp: -0.65
H Acceptors: 5
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:
C₃H₃N₃O₃
Molecular Weight:
129.07
Synonyms:
None
SMILES:
NC1=NC(=NO1)C(O)=O
Tpsa:
102.24
Logp:
-0.65
H Acceptors:
5
H Donors:
2
Rotatable Bonds:
1