CS-0644946
4-Hydroxy-3-methoxy-2,5-dinitrobenzoic acid Opicapone impurity
Manufacturer: ChemScene
CAS Number: None
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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
C₈H₆N₂O₈
Molecular Weight
258.14
Synonyms
None
SMILES
COC1=C(C(C(O)=O)=CC([N+]([O-])=O)=C1O)[N+]([O-])=O
Tpsa
153.04
Logp
0.9154
H Acceptors
7
H Donors
2
Rotatable Bonds
4
Other Options
...
SAFETY INFORMATION
ghsPictogramUrl
https://dev-s3.chemscene.com/web-image/physicalization/irritant.svg
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: C₈H₆N₂O₈
Molecular Weight: 258.14
Synonyms: None
SMILES: COC1=C(C(C(O)=O)=CC([N+]([O-])=O)=C1O)[N+]([O-])=O
Tpsa: 153.04
Logp: 0.9154
H Acceptors: 7
H Donors: 2
Rotatable Bonds: 4
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₈H₆N₂O₈
Molecular Weight:
258.14
Synonyms:
None
SMILES:
COC1=C(C(C(O)=O)=CC([N+]([O-])=O)=C1O)[N+]([O-])=O
Tpsa:
153.04
Logp:
0.9154
H Acceptors:
7
H Donors:
2
Rotatable Bonds:
4
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₈H₁₁ClN₄O₂
Molecular Weight: 230.65
Synonyms: None
SMILES: CC1=C(C(C)=C(C(NO)=N1)/C(N)=N/O)Cl
Tpsa: 103.76
Logp: 1.24744
H Acceptors: 5
H Donors: 4
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:
C₈H₁₁ClN₄O₂
Molecular Weight:
230.65
Synonyms:
None
SMILES:
CC1=C(C(C)=C(C(NO)=N1)/C(N)=N/O)Cl
Tpsa:
103.76
Logp:
1.24744
H Acceptors:
5
H Donors:
4
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: C₈H₁₀ClN₃O₂
Molecular Weight: 215.64
Synonyms: None
SMILES: CC1=C(C(C)=C(C(O)=N1)/C(N)=N/O)Cl
Tpsa: 91.73
Logp: 1.15194
H Acceptors: 4
H Donors: 3
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:
C₈H₁₀ClN₃O₂
Molecular Weight:
215.64
Synonyms:
None
SMILES:
CC1=C(C(C)=C(C(O)=N1)/C(N)=N/O)Cl
Tpsa:
91.73
Logp:
1.15194
H Acceptors:
4
H Donors:
3
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: C₁₂H₉Cl₂N₅O
Molecular Weight: 310.14
Synonyms: None
SMILES: CC1=C(C(C)=C(C(Cl)=N1)C2=NOC(N3C=CN=C3)=N2)Cl
Tpsa: 69.63
Logp: 3.24094
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:
C₁₂H₉Cl₂N₅O
Molecular Weight:
310.14
Synonyms:
None
SMILES:
CC1=C(C(C)=C(C(Cl)=N1)C2=NOC(N3C=CN=C3)=N2)Cl
Tpsa:
69.63
Logp:
3.24094
H Acceptors:
6
H Donors:
0
Rotatable Bonds:
2