CS-0784074
3-Acetyl-5-bromobenzonitrile
Manufacturer: ChemScene
CAS Number: 1393541-70-2
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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
C₉H₆BrNO
Molecular Weight
224.05
Synonyms
None
SMILES
N#CC1=CC(Br)=CC(C(C)=O)=C1
Tpsa
40.86
Logp
2.52338
H Acceptors
2
H Donors
0
Rotatable Bonds
1
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: C₉H₆BrNO
Molecular Weight: 224.05
Synonyms: None
SMILES: N#CC1=CC(Br)=CC(C(C)=O)=C1
Tpsa: 40.86
Logp: 2.52338
H Acceptors: 2
H Donors: 0
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:
C₉H₆BrNO
Molecular Weight:
224.05
Synonyms:
None
SMILES:
N#CC1=CC(Br)=CC(C(C)=O)=C1
Tpsa:
40.86
Logp:
2.52338
H Acceptors:
2
H Donors:
0
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: C₉H₈BNO₃
Molecular Weight: 188.98
Synonyms: None
SMILES: N#CC1=CC(C(C)=O)=CC(B(O)O)=C1
Tpsa: 81.32
Logp: -0.55932
H Acceptors: 4
H Donors: 2
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:
C₉H₈BNO₃
Molecular Weight:
188.98
Synonyms:
None
SMILES:
N#CC1=CC(C(C)=O)=CC(B(O)O)=C1
Tpsa:
81.32
Logp:
-0.55932
H Acceptors:
4
H Donors:
2
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: C₆H₃BrN₂O₂S
Molecular Weight: 247.07
Synonyms: None
SMILES: O=C(C1=C(Br)SC2=CN=CN21)O
Tpsa: 54.6
Logp: 1.8565
H Acceptors: 4
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:
C₆H₃BrN₂O₂S
Molecular Weight:
247.07
Synonyms:
None
SMILES:
O=C(C1=C(Br)SC2=CN=CN21)O
Tpsa:
54.6
Logp:
1.8565
H Acceptors:
4
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: C₁₃H₁₇FN₂
Molecular Weight: 220.29
Synonyms: None
SMILES: N[C@H]1C2(CCNCC2)CC3=C1C=C(F)C=C3
Tpsa: 38.05
Logp: 1.7514
H Acceptors: 2
H Donors: 2
Rotatable Bonds: 0
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₃H₁₇FN₂
Molecular Weight:
220.29
Synonyms:
None
SMILES:
N[C@H]1C2(CCNCC2)CC3=C1C=C(F)C=C3
Tpsa:
38.05
Logp:
1.7514
H Acceptors:
2
H Donors:
2
Rotatable Bonds:
0