CS-0799827
6-((3-Chlorophenyl)ethynyl)-2-methylisoquinolin-1(2H)-one
Manufacturer: ChemScene
CAS Number: 2438455-70-8
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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
C₁₈H₁₂ClNO
Molecular Weight
293.75
Synonyms
None
SMILES
ClC1C=C(C=CC=1)C#CC2C=C3C(=CC=2)C(=O)N(C)C=C3
Tpsa
22
Logp
3.5917
H Acceptors
2
H Donors
0
Rotatable Bonds
0
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: C₁₈H₁₂ClNO
Molecular Weight: 293.75
Synonyms: None
SMILES: ClC1C=C(C=CC=1)C#CC2C=C3C(=CC=2)C(=O)N(C)C=C3
Tpsa: 22
Logp: 3.5917
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:
C₁₈H₁₂ClNO
Molecular Weight:
293.75
Synonyms:
None
SMILES:
ClC1C=C(C=CC=1)C#CC2C=C3C(=CC=2)C(=O)N(C)C=C3
Tpsa:
22
Logp:
3.5917
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: C₁₃H₁₅ClN₂O₂
Molecular Weight: 266.72
Synonyms: None
SMILES: CCC[C@H](O)C1N(C)C(=O)C2C(=CC=C(Cl)C=2)N=1
Tpsa: 55.12
Logp: 2.4204
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:
C₁₃H₁₅ClN₂O₂
Molecular Weight:
266.72
Synonyms:
None
SMILES:
CCC[C@H](O)C1N(C)C(=O)C2C(=CC=C(Cl)C=2)N=1
Tpsa:
55.12
Logp:
2.4204
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: C₈H₁₁N
Molecular Weight: 121.18
Synonyms: None
SMILES: C#C[C@@H]1CC2(CN1)CC2
Tpsa: 12.03
Logp: 0.7617
H Acceptors: 1
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:
C₈H₁₁N
Molecular Weight:
121.18
Synonyms:
None
SMILES:
C#C[C@@H]1CC2(CN1)CC2
Tpsa:
12.03
Logp:
0.7617
H Acceptors:
1
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: C₁₃H₁₁BF₄N₂
Molecular Weight: 282.04
Synonyms: None
SMILES: F[B-](F)(F)F.C[N+]1=C2C(C=CC=C2)=NC3C1=CC=CC=3
Tpsa: 16.77
Logp: 3.5125
H Acceptors: 1
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:
C₁₃H₁₁BF₄N₂
Molecular Weight:
282.04
Synonyms:
None
SMILES:
F[B-](F)(F)F.C[N+]1=C2C(C=CC=C2)=NC3C1=CC=CC=3
Tpsa:
16.77
Logp:
3.5125
H Acceptors:
1
H Donors:
0
Rotatable Bonds:
0