CS-0715729
3-(3-Bromophenyl)-2,2-dimethyl-3-oxopropanenitrile
Manufacturer: ChemScene
CAS Number: 1895698-04-0
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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
C₁₁H₁₀BrNO
Molecular Weight
252.11
Synonyms
None
SMILES
N#CC(C)(C)C(C1=CC=CC(Br)=C1)=O
Tpsa
40.86
Logp
3.18158
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
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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: C₁₁H₁₀BrNO
Molecular Weight: 252.11
Synonyms: None
SMILES: N#CC(C)(C)C(C1=CC=CC(Br)=C1)=O
Tpsa: 40.86
Logp: 3.18158
H Acceptors: 2
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:
C₁₁H₁₀BrNO
Molecular Weight:
252.11
Synonyms:
None
SMILES:
N#CC(C)(C)C(C1=CC=CC(Br)=C1)=O
Tpsa:
40.86
Logp:
3.18158
H Acceptors:
2
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: C₁₁H₁₄BrNO
Molecular Weight: 256.14
Synonyms: None
SMILES: OC(CC1C(C)C1)C2=NC=C(Br)C=C2
Tpsa: 33.12
Logp: 2.9236
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:
C₁₁H₁₄BrNO
Molecular Weight:
256.14
Synonyms:
None
SMILES:
OC(CC1C(C)C1)C2=NC=C(Br)C=C2
Tpsa:
33.12
Logp:
2.9236
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: C₆H₅BrN₂
Molecular Weight: 185.02
Synonyms: None
SMILES: CN1N=CC(C#C)=C1Br
Tpsa: 17.82
Logp: 1.1639
H Acceptors: 2
H Donors: 0
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:
C₆H₅BrN₂
Molecular Weight:
185.02
Synonyms:
None
SMILES:
CN1N=CC(C#C)=C1Br
Tpsa:
17.82
Logp:
1.1639
H Acceptors:
2
H Donors:
0
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: C₁₀H₉F₃N₂
Molecular Weight: 214.19
Synonyms: None
SMILES: N#CC1=CC=CC([C@H](N)C)=C1C(F)(F)F
Tpsa: 49.81
Logp: 2.59678
H Acceptors: 2
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:
C₁₀H₉F₃N₂
Molecular Weight:
214.19
Synonyms:
None
SMILES:
N#CC1=CC=CC([C@H](N)C)=C1C(F)(F)F
Tpsa:
49.81
Logp:
2.59678
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
1