CS-1146959
3-(2-Bromo-4-fluorophenyl)-3-oxopropanenitrile
Manufacturer: ChemScene
CAS Number: 1017048-97-3
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Purity
95%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₉H₅BrFNO
Molecular Weight
242.05
Synonyms
None
SMILES
N#CCC(=O)C1=CC=C(F)C=C1Br
Tpsa
40.86
Logp
2.68458
H Acceptors
2
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: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₅BrFNO
Molecular Weight: 242.05
Synonyms: None
SMILES: N#CCC(=O)C1=CC=C(F)C=C1Br
Tpsa: 40.86
Logp: 2.68458
H Acceptors: 2
H Donors: 0
Rotatable Bonds: 2
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₅BrFNO
Molecular Weight:
242.05
Synonyms:
None
SMILES:
N#CCC(=O)C1=CC=C(F)C=C1Br
Tpsa:
40.86
Logp:
2.68458
H Acceptors:
2
H Donors:
0
Rotatable Bonds:
2
Purity: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₀H₁₄BrNO
Molecular Weight: 244.13
Synonyms: None
SMILES: BrC1=CC=C(OCC)C(=C1)CNC
Tpsa: 21.26
Logp: 2.5672
H Acceptors: 2
H Donors: 1
Rotatable Bonds: 4
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₀H₁₄BrNO
Molecular Weight:
244.13
Synonyms:
None
SMILES:
BrC1=CC=C(OCC)C(=C1)CNC
Tpsa:
21.26
Logp:
2.5672
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
4
Purity: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₄H₁₆N₂O
Molecular Weight: 228.30
Synonyms: None
SMILES: O=C(NC=1C=CC=CC1C)C(N2C=CC=C2)C
Tpsa: 34.03
Logp: 2.99622
H Acceptors: 2
H Donors: 1
Rotatable Bonds: 3
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₄H₁₆N₂O
Molecular Weight:
228.30
Synonyms:
None
SMILES:
O=C(NC=1C=CC=CC1C)C(N2C=CC=C2)C
Tpsa:
34.03
Logp:
2.99622
H Acceptors:
2
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: C₅H₁₀N₄O
Molecular Weight: 142.16
Synonyms: None
SMILES: N=1N=C(NC1)NCCOC
Tpsa: 62.83
Logp: -0.137
H Acceptors: 4
H Donors: 2
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:
C₅H₁₀N₄O
Molecular Weight:
142.16
Synonyms:
None
SMILES:
N=1N=C(NC1)NCCOC
Tpsa:
62.83
Logp:
-0.137
H Acceptors:
4
H Donors:
2
Rotatable Bonds:
4