CS-0886904
3-Acetyl-4-nitrobenzonitrile
Manufacturer: ChemScene
CAS Number: 180343-61-7
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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
C₉H₆N₂O₃
Molecular Weight
190.16
Synonyms
None
SMILES
N#CC1=CC=C([N+]([O-])=O)C(C(C)=O)=C1
Tpsa
84
Logp
1.66908
H Acceptors
4
H Donors
0
Rotatable Bonds
2
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: C₉H₆N₂O₃
Molecular Weight: 190.16
Synonyms: None
SMILES: N#CC1=CC=C([N+]([O-])=O)C(C(C)=O)=C1
Tpsa: 84
Logp: 1.66908
H Acceptors: 4
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:
C₉H₆N₂O₃
Molecular Weight:
190.16
Synonyms:
None
SMILES:
N#CC1=CC=C([N+]([O-])=O)C(C(C)=O)=C1
Tpsa:
84
Logp:
1.66908
H Acceptors:
4
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: C₁₃H₂₇IO₂SSi
Molecular Weight: 402.41
Synonyms: None
SMILES: O=C(SCCI)C(C)(C)CO[Si](C)(C(C)(C)C)C
Tpsa: 26.3
Logp: 4.7292
H Acceptors: 3
H Donors: 0
Rotatable Bonds: 6
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₃H₂₇IO₂SSi
Molecular Weight:
402.41
Synonyms:
None
SMILES:
O=C(SCCI)C(C)(C)CO[Si](C)(C(C)(C)C)C
Tpsa:
26.3
Logp:
4.7292
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
6
Purity: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₈N₂O
Molecular Weight: 160.17
Synonyms: None
SMILES: N#CC1=CC=C(N)C(C(C)=O)=C1
Tpsa: 66.88
Logp: 1.34308
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 1
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₈N₂O
Molecular Weight:
160.17
Synonyms:
None
SMILES:
N#CC1=CC=C(N)C(C(C)=O)=C1
Tpsa:
66.88
Logp:
1.34308
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: C₁₀H₇F₂NO₂
Molecular Weight: 211.16
Synonyms: None
SMILES: N#CC1=CC=C(OC(F)F)C(C(C)=O)=C1
Tpsa: 50.09
Logp: 2.36228
H Acceptors: 3
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:
C₁₀H₇F₂NO₂
Molecular Weight:
211.16
Synonyms:
None
SMILES:
N#CC1=CC=C(OC(F)F)C(C(C)=O)=C1
Tpsa:
50.09
Logp:
2.36228
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
3