CS-1047086
6-Isoquinolinecarboxylic acid, 8-fluoro-1,2,3,4-tetrahydro-, methyl ester, hydrochloride 1:1
Manufacturer: ChemScene
CAS Number: 3031160-03-6
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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
C₁₁H₁₃ClFNO₂
Molecular Weight
245.68
Synonyms
None
SMILES
O=C(C1=CC2=C(CNCC2)C(F)=C1)OC.Cl
Tpsa
38.33
Logp
1.6798
H Acceptors
3
H Donors
1
Rotatable Bonds
1
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: C₁₁H₁₃ClFNO₂
Molecular Weight: 245.68
Synonyms: None
SMILES: O=C(C1=CC2=C(CNCC2)C(F)=C1)OC.Cl
Tpsa: 38.33
Logp: 1.6798
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:
C₁₁H₁₃ClFNO₂
Molecular Weight:
245.68
Synonyms:
None
SMILES:
O=C(C1=CC2=C(CNCC2)C(F)=C1)OC.Cl
Tpsa:
38.33
Logp:
1.6798
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: C₁₀H₁₁BrF₂
Molecular Weight: 249.10
Synonyms: None
SMILES: CC1=C(Br)C(C)=CC(C(F)(F)C)=C1
Tpsa: 0
Logp: 4.17764
H Acceptors: 0
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:
C₁₀H₁₁BrF₂
Molecular Weight:
249.10
Synonyms:
None
SMILES:
CC1=C(Br)C(C)=CC(C(F)(F)C)=C1
Tpsa:
0
Logp:
4.17764
H Acceptors:
0
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: C₁₅H₂₁F₂NO₃
Molecular Weight: 301.33
Synonyms: None
SMILES: O=C(NC1=C(C)C=C(C(F)(CO)F)C=C1C)OC(C)(C)C
Tpsa: 58.56
Logp: 3.73454
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:
C₁₅H₂₁F₂NO₃
Molecular Weight:
301.33
Synonyms:
None
SMILES:
O=C(NC1=C(C)C=C(C(F)(CO)F)C=C1C)OC(C)(C)C
Tpsa:
58.56
Logp:
3.73454
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: C₆H₁₂F₃O₆PS
Molecular Weight: 300.19
Synonyms: None
SMILES: O=S(C(F)(F)F)(OCP(OCC)(OCC)=O)=O
Tpsa: 78.9
Logp: 2.0762
H Acceptors: 6
H Donors: 0
Rotatable Bonds: 7
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₆H₁₂F₃O₆PS
Molecular Weight:
300.19
Synonyms:
None
SMILES:
O=S(C(F)(F)F)(OCP(OCC)(OCC)=O)=O
Tpsa:
78.9
Logp:
2.0762
H Acceptors:
6
H Donors:
0
Rotatable Bonds:
7