CS-0446977
2-Benzoylnicotinic acid
Manufacturer: ChemScene
CAS Number: 147779-25-7
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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
C₁₃H₉NO₃
Molecular Weight
227.22
Synonyms
2-BENZOYLPYRIDINE-3-CARBOXYLIC ACID
SMILES
C1=CC=C(C=C1)C(=O)C2=C(C=CC=N2)C(=O)O
Tpsa
67.26
Logp
2.0108
H Acceptors
3
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
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: C₁₃H₉NO₃
Molecular Weight: 227.22
Synonyms: 2-BENZOYLPYRIDINE-3-CARBOXYLIC ACID
SMILES: C1=CC=C(C=C1)C(=O)C2=C(C=CC=N2)C(=O)O
Tpsa: 67.26
Logp: 2.0108
H Acceptors: 3
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:
C₁₃H₉NO₃
Molecular Weight:
227.22
Synonyms:
2-BENZOYLPYRIDINE-3-CARBOXYLIC ACID
SMILES:
C1=CC=C(C=C1)C(=O)C2=C(C=CC=N2)C(=O)O
Tpsa:
67.26
Logp:
2.0108
H Acceptors:
3
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: C₅H₇N₃O₂
Molecular Weight: 141.13
Synonyms: (1-Methyl-1H-[1,2,3]triazol-4-yl)-acetic acid
SMILES: CN1C=C(CC(=O)O)N=N1
Tpsa: 68.01
Logp: -0.5578
H Acceptors: 4
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:
C₅H₇N₃O₂
Molecular Weight:
141.13
Synonyms:
(1-Methyl-1H-[1,2,3]triazol-4-yl)-acetic acid
SMILES:
CN1C=C(CC(=O)O)N=N1
Tpsa:
68.01
Logp:
-0.5578
H Acceptors:
4
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: C₈H₄F₂N₂O₂
Molecular Weight: 198.13
Synonyms: 5-Cyano-2-difluoromethyl-nicotinic acid
SMILES: C1=C(C#N)C=NC(=C1C(=O)O)C(F)F
Tpsa: 73.98
Logp: 1.58908
H Acceptors: 3
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:
C₈H₄F₂N₂O₂
Molecular Weight:
198.13
Synonyms:
5-Cyano-2-difluoromethyl-nicotinic acid
SMILES:
C1=C(C#N)C=NC(=C1C(=O)O)C(F)F
Tpsa:
73.98
Logp:
1.58908
H Acceptors:
3
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: C₉H₁₃N₃
Molecular Weight: 163.22
Synonyms: 2-PIPERIDIN-4-YLPYRIMIDINE
SMILES: C1=CN=C(C2CCNCC2)N=C1
Tpsa: 37.81
Logp: 0.9436
H Acceptors: 3
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:
C₉H₁₃N₃
Molecular Weight:
163.22
Synonyms:
2-PIPERIDIN-4-YLPYRIMIDINE
SMILES:
C1=CN=C(C2CCNCC2)N=C1
Tpsa:
37.81
Logp:
0.9436
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
1