CS-1169292
1-(Isoquinolin-1-yl)-1H-pyrrole-3-carboxylic acid
Manufacturer: ChemScene
CAS Number: 649727-06-0
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Purity
97%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₁₄H₁₀N₂O₂
Molecular Weight
238.25
Synonyms
None
SMILES
O=C(O)C=1C=CN(C1)C2=NC=CC=3C=CC=CC32
Tpsa
55.12
Logp
2.7237
H Acceptors
3
H Donors
1
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: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₄H₁₀N₂O₂
Molecular Weight: 238.25
Synonyms: None
SMILES: O=C(O)C=1C=CN(C1)C2=NC=CC=3C=CC=CC32
Tpsa: 55.12
Logp: 2.7237
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 2
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₄H₁₀N₂O₂
Molecular Weight:
238.25
Synonyms:
None
SMILES:
O=C(O)C=1C=CN(C1)C2=NC=CC=3C=CC=CC32
Tpsa:
55.12
Logp:
2.7237
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: C₁₁H₁₂FNO₂
Molecular Weight: 209.22
Synonyms: None
SMILES: O=C(OC)C1NC2=CC(F)=CC=C2CC1
Tpsa: 38.33
Logp: 1.7254
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:
C₁₁H₁₂FNO₂
Molecular Weight:
209.22
Synonyms:
None
SMILES:
O=C(OC)C1NC2=CC(F)=CC=C2CC1
Tpsa:
38.33
Logp:
1.7254
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
1
Purity: 97%
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: S=C1NC2=CC(OCC)=CC=C2N1C
Tpsa: 29.95
Logp: 2.63459
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 2
Purity:
97%
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:
S=C1NC2=CC(OCC)=CC=C2N1C
Tpsa:
29.95
Logp:
2.63459
H Acceptors:
3
H Donors:
1
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: C₅H₂O₂S ₂-
Molecular Weight: 126.13
Synonyms: None
SMILES: O=C([O-])C1=[C-]SC=C1
Tpsa: 40.13
Logp: -0.08821
H Acceptors: 3
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:
C₅H₂O₂S ₂-
Molecular Weight:
126.13
Synonyms:
None
SMILES:
O=C([O-])C1=[C-]SC=C1
Tpsa:
40.13
Logp:
-0.08821
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
1