CS-0731431
4-Nicotinoylbenzonitrile
Manufacturer: ChemScene
CAS Number: 945412-74-8
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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
C₁₃H₈N₂O
Molecular Weight
208.22
Synonyms
None
SMILES
O=C(C1=CC=C(C=C1)C#N)C1=CN=CC=C1
Tpsa
53.75
Logp
2.18428
H Acceptors
3
H Donors
0
Rotatable Bonds
2
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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: C₁₃H₈N₂O
Molecular Weight: 208.22
Synonyms: None
SMILES: O=C(C1=CC=C(C=C1)C#N)C1=CN=CC=C1
Tpsa: 53.75
Logp: 2.18428
H Acceptors: 3
H Donors: 0
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:
C₁₃H₈N₂O
Molecular Weight:
208.22
Synonyms:
None
SMILES:
O=C(C1=CC=C(C=C1)C#N)C1=CN=CC=C1
Tpsa:
53.75
Logp:
2.18428
H Acceptors:
3
H Donors:
0
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: C₁₈H₁₃NO₂
Molecular Weight: 275.30
Synonyms: None
SMILES: O=C(C1=CN=CC=C1)C1=CC(OC2=CC=CC=C2)=CC=C1
Tpsa: 39.19
Logp: 4.1049
H Acceptors: 3
H Donors: 0
Rotatable Bonds: 4
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₈H₁₃NO₂
Molecular Weight:
275.30
Synonyms:
None
SMILES:
O=C(C1=CN=CC=C1)C1=CC(OC2=CC=CC=C2)=CC=C1
Tpsa:
39.19
Logp:
4.1049
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
4
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₈H₁₃NO₂
Molecular Weight: 275.30
Synonyms: None
SMILES: O=C(C1=CC=C(OC2=CC=CC=C2)C=C1)C1=CN=CC=C1
Tpsa: 39.19
Logp: 4.1049
H Acceptors: 3
H Donors: 0
Rotatable Bonds: 4
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₈H₁₃NO₂
Molecular Weight:
275.30
Synonyms:
None
SMILES:
O=C(C1=CC=C(OC2=CC=CC=C2)C=C1)C1=CN=CC=C1
Tpsa:
39.19
Logp:
4.1049
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
4
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₂H₈N₂O₃
Molecular Weight: 228.20
Synonyms: None
SMILES: [O-][N+](=O)C1=CC=CC(=C1)C(=O)C1=CN=CC=C1
Tpsa: 73.1
Logp: 2.2208
H Acceptors: 4
H Donors: 0
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:
C₁₂H₈N₂O₃
Molecular Weight:
228.20
Synonyms:
None
SMILES:
[O-][N+](=O)C1=CC=CC(=C1)C(=O)C1=CN=CC=C1
Tpsa:
73.1
Logp:
2.2208
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
3