CS-0799907
3-[(5-Chloro-1-oxo-2-isoquinolyl)methyl]benzonitrile
Manufacturer: ChemScene
CAS Number: 1503322-14-2
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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
C₁₇H₁₁ClN₂O
Molecular Weight
294.74
Synonyms
None
SMILES
N#CC1C=C(C=CC=1)CN2C(=O)C3C(C=C2)=C(Cl)C=CC=3
Tpsa
45.79
Logp
3.57488
H Acceptors
3
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: C₁₇H₁₁ClN₂O
Molecular Weight: 294.74
Synonyms: None
SMILES: N#CC1C=C(C=CC=1)CN2C(=O)C3C(C=C2)=C(Cl)C=CC=3
Tpsa: 45.79
Logp: 3.57488
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:
C₁₇H₁₁ClN₂O
Molecular Weight:
294.74
Synonyms:
None
SMILES:
N#CC1C=C(C=CC=1)CN2C(=O)C3C(C=C2)=C(Cl)C=CC=3
Tpsa:
45.79
Logp:
3.57488
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: C₁₆H₁₉NO₄
Molecular Weight: 289.33
Synonyms: None
SMILES: CCCOCCN1C(=O)C2C(=CC=C(C(=O)OC)C=2)C=C1
Tpsa: 57.53
Logp: 2.2147
H Acceptors: 5
H Donors: 0
Rotatable Bonds: 6
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₆H₁₉NO₄
Molecular Weight:
289.33
Synonyms:
None
SMILES:
CCCOCCN1C(=O)C2C(=CC=C(C(=O)OC)C=2)C=C1
Tpsa:
57.53
Logp:
2.2147
H Acceptors:
5
H Donors:
0
Rotatable Bonds:
6
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₃H₁₈FNO₃
Molecular Weight: 255.29
Synonyms: None
SMILES: OCC(NC(=O)OC(C)(C)C)C1=CC(F)=CC=C1
Tpsa: 58.56
Logp: 2.3838
H Acceptors: 3
H Donors: 2
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:
C₁₃H₁₈FNO₃
Molecular Weight:
255.29
Synonyms:
None
SMILES:
OCC(NC(=O)OC(C)(C)C)C1=CC(F)=CC=C1
Tpsa:
58.56
Logp:
2.3838
H Acceptors:
3
H Donors:
2
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: C₁₄H₁₄ClNO₃
Molecular Weight: 279.72
Synonyms: None
SMILES: CCOC(=O)C1=C(Cl)C2C(=CC=C(C)C=2)N(C)C1=O
Tpsa: 48.3
Logp: 2.67702
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:
C₁₄H₁₄ClNO₃
Molecular Weight:
279.72
Synonyms:
None
SMILES:
CCOC(=O)C1=C(Cl)C2C(=CC=C(C)C=2)N(C)C1=O
Tpsa:
48.3
Logp:
2.67702
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
2