CS-0799903
3-[(7-Chloro-1-oxo-2-isoquinolyl)methyl]benzonitrile
Manufacturer: ChemScene
CAS Number: 1516273-66-7
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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(=CC=C(Cl)C=3)C=C2
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(=CC=C(Cl)C=3)C=C2
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(=CC=C(Cl)C=3)C=C2
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: C₁₇H₂₁NO₂
Molecular Weight: 271.35
Synonyms: None
SMILES: CCCCC1N(C=CC)C(=O)C2C(C=1)=C(OC)C=CC=2
Tpsa: 31.23
Logp: 3.8433
H Acceptors: 3
H Donors: 0
Rotatable Bonds: 5
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₇H₂₁NO₂
Molecular Weight:
271.35
Synonyms:
None
SMILES:
CCCCC1N(C=CC)C(=O)C2C(C=1)=C(OC)C=CC=2
Tpsa:
31.23
Logp:
3.8433
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
5
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₄H₁₇NO₂
Molecular Weight: 231.29
Synonyms: None
SMILES: OCCCN1C(=O)C2C(=CC=C(CC)C=2)C=C1
Tpsa: 42.23
Logp: 1.9463
H Acceptors: 3
H Donors: 1
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:
C₁₄H₁₇NO₂
Molecular Weight:
231.29
Synonyms:
None
SMILES:
OCCCN1C(=O)C2C(=CC=C(CC)C=2)C=C1
Tpsa:
42.23
Logp:
1.9463
H Acceptors:
3
H Donors:
1
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: C₁₃H₁₄Cl₂N₂O
Molecular Weight: 285.17
Synonyms: None
SMILES: CCC(N)CN1C(=O)C2C(C=C1)=C(Cl)C=C(Cl)C=2
Tpsa: 48.02
Logp: 3.0456
H Acceptors: 3
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:
C₁₃H₁₄Cl₂N₂O
Molecular Weight:
285.17
Synonyms:
None
SMILES:
CCC(N)CN1C(=O)C2C(C=C1)=C(Cl)C=C(Cl)C=2
Tpsa:
48.02
Logp:
3.0456
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
3