CS-0868050
4-Cyano-2-fluoro-3-methylbenzoic acid
Manufacturer: ChemScene
CAS Number: 1804910-85-7
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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
C₉H₆FNO₂
Molecular Weight
179.15
Synonyms
None
SMILES
O=C(O)C1=CC=C(C#N)C(C)=C1F
Tpsa
61.09
Logp
1.704
H Acceptors
2
H Donors
1
Rotatable Bonds
1
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SAFETY INFORMATION
Pictograms
Signal Word
Danger
UN Number
2811
Class
6.1
Packing Group
Ⅲ
Hazard Statements
Precautionary Statements
P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P361-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: C₉H₆FNO₂
Molecular Weight: 179.15
Synonyms: None
SMILES: O=C(O)C1=CC=C(C#N)C(C)=C1F
Tpsa: 61.09
Logp: 1.704
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:
C₉H₆FNO₂
Molecular Weight:
179.15
Synonyms:
None
SMILES:
O=C(O)C1=CC=C(C#N)C(C)=C1F
Tpsa:
61.09
Logp:
1.704
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: C₅H₅N₃O₄
Molecular Weight: 171.11
Synonyms: None
SMILES: O=C(C1=C([N+]([O-])=O)NN=C1C)O
Tpsa: 109.12
Logp: 0.32452
H Acceptors: 4
H Donors: 2
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:
C₅H₅N₃O₄
Molecular Weight:
171.11
Synonyms:
None
SMILES:
O=C(C1=C([N+]([O-])=O)NN=C1C)O
Tpsa:
109.12
Logp:
0.32452
H Acceptors:
4
H Donors:
2
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: C₁₀H₉NO₃
Molecular Weight: 191.18
Synonyms: None
SMILES: O=C(OC)C1=CC=C(C#N)C(C)=C1O
Tpsa: 70.32
Logp: 1.3589
H Acceptors: 4
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:
C₁₀H₉NO₃
Molecular Weight:
191.18
Synonyms:
None
SMILES:
O=C(OC)C1=CC=C(C#N)C(C)=C1O
Tpsa:
70.32
Logp:
1.3589
H Acceptors:
4
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: C₅H₆N₂O₃
Molecular Weight: 142.11
Synonyms: None
SMILES: O=C(C1C(C)=NNC1=O)O
Tpsa: 78.76
Logp: -0.8071
H Acceptors: 3
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:
C₅H₆N₂O₃
Molecular Weight:
142.11
Synonyms:
None
SMILES:
O=C(C1C(C)=NNC1=O)O
Tpsa:
78.76
Logp:
-0.8071
H Acceptors:
3
H Donors:
2
Rotatable Bonds:
1