CS-1145018
1-(5-Chloroisoquinolin-3-yl)ethan-1-one
Manufacturer: ChemScene
CAS Number: 2751283-29-9
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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
C₁₁H₈ClNO
Molecular Weight
205.64
Synonyms
None
SMILES
O=C(C=1N=CC2=CC=CC(Cl)=C2C1)C
Tpsa
29.96
Logp
3.0908
H Acceptors
2
H Donors
0
Rotatable Bonds
1
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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
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: C₁₁H₈ClNO
Molecular Weight: 205.64
Synonyms: None
SMILES: O=C(C=1N=CC2=CC=CC(Cl)=C2C1)C
Tpsa: 29.96
Logp: 3.0908
H Acceptors: 2
H Donors: 0
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:
C₁₁H₈ClNO
Molecular Weight:
205.64
Synonyms:
None
SMILES:
O=C(C=1N=CC2=CC=CC(Cl)=C2C1)C
Tpsa:
29.96
Logp:
3.0908
H Acceptors:
2
H Donors:
0
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: C₁₃H₁₉BO₃
Molecular Weight: 234.10
Synonyms: None
SMILES: O1C=CC(C=CB2OC(C)(C)C(O2)(C)C)=C1C
Tpsa: 31.6
Logp: 3.23262
H Acceptors: 3
H Donors: 0
Rotatable Bonds: 2
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₃H₁₉BO₃
Molecular Weight:
234.10
Synonyms:
None
SMILES:
O1C=CC(C=CB2OC(C)(C)C(O2)(C)C)=C1C
Tpsa:
31.6
Logp:
3.23262
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: C₁₂H₂₄N₂O₂
Molecular Weight: 228.34
Synonyms: None
SMILES: C(OC(C)(C)C)(=O)N1C[C@H](CN)[C@H](C)CC1
Tpsa: 55.56
Logp: 1.8382
H Acceptors: 3
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:
C₁₂H₂₄N₂O₂
Molecular Weight:
228.34
Synonyms:
None
SMILES:
C(OC(C)(C)C)(=O)N1C[C@H](CN)[C@H](C)CC1
Tpsa:
55.56
Logp:
1.8382
H Acceptors:
3
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: C₁₁H₈N₄O₂
Molecular Weight: 228.21
Synonyms: None
SMILES: N#CCN1N=C(C=C1C(=O)O)C=2C=NC=CC2
Tpsa: 91.8
Logp: 1.16688
H Acceptors: 5
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:
C₁₁H₈N₄O₂
Molecular Weight:
228.21
Synonyms:
None
SMILES:
N#CCN1N=C(C=C1C(=O)O)C=2C=NC=CC2
Tpsa:
91.8
Logp:
1.16688
H Acceptors:
5
H Donors:
1
Rotatable Bonds:
3