CS-0883742
2-(Cyanomethyl)-5-nitrobenzoic acid
Manufacturer: ChemScene
CAS Number: 104825-25-4
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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
C₉H₆N₂O₄
Molecular Weight
206.15
Synonyms
None
SMILES
O=C(O)C1=CC([N+]([O-])=O)=CC=C1CC#N
Tpsa
104.23
Logp
1.35908
H Acceptors
4
H Donors
1
Rotatable Bonds
3
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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
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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: C₉H₆N₂O₄
Molecular Weight: 206.15
Synonyms: None
SMILES: O=C(O)C1=CC([N+]([O-])=O)=CC=C1CC#N
Tpsa: 104.23
Logp: 1.35908
H Acceptors: 4
H Donors: 1
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:
C₉H₆N₂O₄
Molecular Weight:
206.15
Synonyms:
None
SMILES:
O=C(O)C1=CC([N+]([O-])=O)=CC=C1CC#N
Tpsa:
104.23
Logp:
1.35908
H Acceptors:
4
H Donors:
1
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: C₉H₆ClNO₂
Molecular Weight: 195.60
Synonyms: None
SMILES: O=C(O)C1=CC=C(CC#N)C=C1Cl
Tpsa: 61.09
Logp: 2.10428
H Acceptors: 2
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:
C₉H₆ClNO₂
Molecular Weight:
195.60
Synonyms:
None
SMILES:
O=C(O)C1=CC=C(CC#N)C=C1Cl
Tpsa:
61.09
Logp:
2.10428
H Acceptors:
2
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: C₉H₆FNO₂
Molecular Weight: 179.15
Synonyms: None
SMILES: O=C(O)C1=CC=C(CC#N)C=C1F
Tpsa: 61.09
Logp: 1.58998
H Acceptors: 2
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:
C₉H₆FNO₂
Molecular Weight:
179.15
Synonyms:
None
SMILES:
O=C(O)C1=CC=C(CC#N)C=C1F
Tpsa:
61.09
Logp:
1.58998
H Acceptors:
2
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: C₉H₅F₂NO₂
Molecular Weight: 197.14
Synonyms: None
SMILES: O=C(O)C1=CC=C(CC#N)C(F)=C1F
Tpsa: 61.09
Logp: 1.72908
H Acceptors: 2
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:
C₉H₅F₂NO₂
Molecular Weight:
197.14
Synonyms:
None
SMILES:
O=C(O)C1=CC=C(CC#N)C(F)=C1F
Tpsa:
61.09
Logp:
1.72908
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
2