CS-1064842
6-(Prop-1-yn-1-yl)isoindolin-1-one
Manufacturer: ChemScene
CAS Number: 2611043-53-7
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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
C₁₁H₉NO
Molecular Weight
171.20
Synonyms
None
SMILES
O=C1NCC2=CC=C(C#CC)C=C12
Tpsa
29.1
Logp
1.3014
H Acceptors
1
H Donors
1
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
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: C₁₁H₉NO
Molecular Weight: 171.20
Synonyms: None
SMILES: O=C1NCC2=CC=C(C#CC)C=C12
Tpsa: 29.1
Logp: 1.3014
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:
C₁₁H₉NO
Molecular Weight:
171.20
Synonyms:
None
SMILES:
O=C1NCC2=CC=C(C#CC)C=C12
Tpsa:
29.1
Logp:
1.3014
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: C₁₁H₁₃BrN₂O
Molecular Weight: 269.14
Synonyms: None
SMILES: BrC1=NC=CN=C1C#CC(O)(C)C(C)C
Tpsa: 46.01
Logp: 1.9976
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:
C₁₁H₁₃BrN₂O
Molecular Weight:
269.14
Synonyms:
None
SMILES:
BrC1=NC=CN=C1C#CC(O)(C)C(C)C
Tpsa:
46.01
Logp:
1.9976
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: C₁₂H₁₈N₂O₄
Molecular Weight: 254.28
Synonyms: None
SMILES: O=C(OC(C)(C)C)N1N=C(C(C(=O)C)=C1OC)C
Tpsa: 70.42
Logp: 2.18592
H Acceptors: 6
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:
C₁₂H₁₈N₂O₄
Molecular Weight:
254.28
Synonyms:
None
SMILES:
O=C(OC(C)(C)C)N1N=C(C(C(=O)C)=C1OC)C
Tpsa:
70.42
Logp:
2.18592
H Acceptors:
6
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: C₉H₇ClF₃N₃
Molecular Weight: 249.62
Synonyms: None
SMILES: FC(F)(F)CC1=NC=2N=CC(Cl)=C(C2N1)C
Tpsa: 41.57
Logp: 3.02452
H Acceptors: 2
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:
C₉H₇ClF₃N₃
Molecular Weight:
249.62
Synonyms:
None
SMILES:
FC(F)(F)CC1=NC=2N=CC(Cl)=C(C2N1)C
Tpsa:
41.57
Logp:
3.02452
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
1