CS-0376299
3-(Cyanomethyl)-4-nitrobenzoic acid
Manufacturer: ChemScene
CAS Number: 104825-21-0
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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
Benzoic acid, 3-(cyanomethyl)-4-nitro- (9CI)
SMILES
O=C(O)C1=CC=C([N+]([O-])=O)C(CC#N)=C1
Tpsa
104.23
Logp
1.35908
H Acceptors
4
H Donors
1
Rotatable Bonds
3
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: Benzoic acid, 3-(cyanomethyl)-4-nitro- (9CI)
SMILES: O=C(O)C1=CC=C([N+]([O-])=O)C(CC#N)=C1
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:
Benzoic acid, 3-(cyanomethyl)-4-nitro- (9CI)
SMILES:
O=C(O)C1=CC=C([N+]([O-])=O)C(CC#N)=C1
Tpsa:
104.23
Logp:
1.35908
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
3
Purity: 97%
MDL No: MFCD29047081
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₅H₃FN₂O₃
Molecular Weight: 158.09
Synonyms: Favipiravir Impurity 5
SMILES: O=C(C1=NC(F)=CNC1=O)O
Tpsa: 83.05
Logp: -0.3928
H Acceptors: 3
H Donors: 2
Rotatable Bonds: 1
Purity:
97%
MDL No:
MFCD29047081
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₅H₃FN₂O₃
Molecular Weight:
158.09
Synonyms:
Favipiravir Impurity 5
SMILES:
O=C(C1=NC(F)=CNC1=O)O
Tpsa:
83.05
Logp:
-0.3928
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: C₂₁H₂₄Cl₂FN₃O₃
Molecular Weight: 456.34
Synonyms: None
SMILES: O=C(NCC1CN(CC2=CC=C(F)C=C2)CCO1)C3=CC(Cl)=C(N)C(Cl)=C3OCC
Tpsa: 76.82
Logp: 3.7442
H Acceptors: 5
H Donors: 2
Rotatable Bonds: 7
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₁H₂₄Cl₂FN₃O₃
Molecular Weight:
456.34
Synonyms:
None
SMILES:
O=C(NCC1CN(CC2=CC=C(F)C=C2)CCO1)C3=CC(Cl)=C(N)C(Cl)=C3OCC
Tpsa:
76.82
Logp:
3.7442
H Acceptors:
5
H Donors:
2
Rotatable Bonds:
7
Purity: 98+%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₆H₇BrN₂
Molecular Weight: 187.04
Synonyms: C-(4-Bromo-pyridin-3-yl)-methylamine
SMILES: NCC1=C(Br)C=CN=C1
Tpsa: 38.91
Logp: 1.3028
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:
C₆H₇BrN₂
Molecular Weight:
187.04
Synonyms:
C-(4-Bromo-pyridin-3-yl)-methylamine
SMILES:
NCC1=C(Br)C=CN=C1
Tpsa:
38.91
Logp:
1.3028
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
1