CS-0887542
5-Cyano-3-fluoro-2-methylbenzoic acid
Manufacturer: ChemScene
CAS Number: 1807191-57-6
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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
C₉H₆FNO₂
Molecular Weight
179.15
Synonyms
None
SMILES
O=C(O)C1=CC(C#N)=CC(F)=C1C
Tpsa
61.09
Logp
1.704
H Acceptors
2
H Donors
1
Rotatable Bonds
1
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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: C₉H₆FNO₂
Molecular Weight: 179.15
Synonyms: None
SMILES: O=C(O)C1=CC(C#N)=CC(F)=C1C
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#N)=CC(F)=C1C
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: C₁₂H₁₀BrClN₂
Molecular Weight: 297.58
Synonyms: None
SMILES: CC1=NC(Cl)=C2C=C(Br)C3=C(CCC3)C2=N1
Tpsa: 25.78
Logp: 3.84282
H Acceptors: 2
H Donors: 0
Rotatable Bonds: 0
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₂H₁₀BrClN₂
Molecular Weight:
297.58
Synonyms:
None
SMILES:
CC1=NC(Cl)=C2C=C(Br)C3=C(CCC3)C2=N1
Tpsa:
25.78
Logp:
3.84282
H Acceptors:
2
H Donors:
0
Rotatable Bonds:
0
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₆H₈BrN₃
Molecular Weight: 202.05
Synonyms: None
SMILES: CC1=CN=C(Br)C=C1NN
Tpsa: 50.94
Logp: 1.43812
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:
C₆H₈BrN₃
Molecular Weight:
202.05
Synonyms:
None
SMILES:
CC1=CN=C(Br)C=C1NN
Tpsa:
50.94
Logp:
1.43812
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: C₆H₁₄Cl₂N₂
Molecular Weight: 185.09
Synonyms: None
SMILES: [H][C@@]1(NCCN2)[C@@]2([H])CC1.Cl.Cl
Tpsa: 24.06
Logp: 0.5538
H Acceptors: 2
H Donors: 2
Rotatable Bonds: 0
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₆H₁₄Cl₂N₂
Molecular Weight:
185.09
Synonyms:
None
SMILES:
[H][C@@]1(NCCN2)[C@@]2([H])CC1.Cl.Cl
Tpsa:
24.06
Logp:
0.5538
H Acceptors:
2
H Donors:
2
Rotatable Bonds:
0