CS-0543059
2-(2-Fluoro-5-nitrophenyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Manufacturer: ChemScene
CAS Number: 342412-84-4
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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
C₁₅H₁₁FN₂O₄
Molecular Weight
302.26
Synonyms
None
SMILES
O=C1N(C2=CC([N+]([O-])=O)=CC=C2F)C(C3C(C4)C=CC4C13)=O
Tpsa
80.52
Logp
2.0454
H Acceptors
4
H Donors
0
Rotatable Bonds
2
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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: C₁₅H₁₁FN₂O₄
Molecular Weight: 302.26
Synonyms: None
SMILES: O=C1N(C2=CC([N+]([O-])=O)=CC=C2F)C(C3C(C4)C=CC4C13)=O
Tpsa: 80.52
Logp: 2.0454
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:
C₁₅H₁₁FN₂O₄
Molecular Weight:
302.26
Synonyms:
None
SMILES:
O=C1N(C2=CC([N+]([O-])=O)=CC=C2F)C(C3C(C4)C=CC4C13)=O
Tpsa:
80.52
Logp:
2.0454
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: C₁₆H₈F₃N₃O₂S
Molecular Weight: 363.31
Synonyms: 11-(pyridin-4-yl)-13-(trifluoromethyl)-8-thia-3,10-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5,10,12-hexaene-4,6-diol
SMILES: C1=CN=CC=C1C2=NC3=C(C(=C2)C(F)(F)F)C4=C(S3)C(=CC(=O)N4)O
Tpsa: 78.87
Logp: 3.9242
H Acceptors: 5
H Donors: 2
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:
C₁₆H₈F₃N₃O₂S
Molecular Weight:
363.31
Synonyms:
11-(pyridin-4-yl)-13-(trifluoromethyl)-8-thia-3,10-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5,10,12-hexaene-4,6-diol
SMILES:
C1=CN=CC=C1C2=NC3=C(C(=C2)C(F)(F)F)C4=C(S3)C(=CC(=O)N4)O
Tpsa:
78.87
Logp:
3.9242
H Acceptors:
5
H Donors:
2
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: C₁₀H₁₂N₂OS
Molecular Weight: 208.28
Synonyms: None
SMILES: C1CC2=C(C1)SC(=N2)NC(=O)C3CC3
Tpsa: 41.99
Logp: 1.9803
H Acceptors: 3
H Donors: 1
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:
C₁₀H₁₂N₂OS
Molecular Weight:
208.28
Synonyms:
None
SMILES:
C1CC2=C(C1)SC(=N2)NC(=O)C3CC3
Tpsa:
41.99
Logp:
1.9803
H Acceptors:
3
H Donors:
1
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: C₁₃H₁₃ClF₃N₃
Molecular Weight: 303.71
Synonyms: N-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-N,2,5-trimethyl-1H-pyrrol-1-amine
SMILES: FC(C1=CN=C(N(N2C(C)=CC=C2C)C)C(Cl)=C1)(F)F
Tpsa: 21.06
Logp: 4.07164
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:
C₁₃H₁₃ClF₃N₃
Molecular Weight:
303.71
Synonyms:
N-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-N,2,5-trimethyl-1H-pyrrol-1-amine
SMILES:
FC(C1=CN=C(N(N2C(C)=CC=C2C)C)C(Cl)=C1)(F)F
Tpsa:
21.06
Logp:
4.07164
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
2