CS-0594064
1-(5-Bromo-4-ethyl-2-methyl-1H-pyrrol-3-yl)ethan-1-one
Manufacturer: ChemScene
CAS Number: 859074-81-0
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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
C₉H₁₂BrNO
Molecular Weight
230.10
Synonyms
None
SMILES
CCC1=C(NC(=C1C(=O)C)C)Br
Tpsa
32.86
Logp
2.85062
H Acceptors
1
H Donors
1
Rotatable Bonds
2
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SAFETY INFORMATION
Pictograms
Signal Word
Danger
UN Number
2811
Class
6.1
Packing Group
Ⅲ
Hazard Statements
Precautionary Statements
P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P361-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: C₉H₁₂BrNO
Molecular Weight: 230.10
Synonyms: None
SMILES: CCC1=C(NC(=C1C(=O)C)C)Br
Tpsa: 32.86
Logp: 2.85062
H Acceptors: 1
H Donors: 1
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:
C₉H₁₂BrNO
Molecular Weight:
230.10
Synonyms:
None
SMILES:
CCC1=C(NC(=C1C(=O)C)C)Br
Tpsa:
32.86
Logp:
2.85062
H Acceptors:
1
H Donors:
1
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: C₁₂H₁₈N₂OS
Molecular Weight: 238.35
Synonyms: None
SMILES: C1COCCN1C(=S)NC2CC3CC2C=C3
Tpsa: 24.5
Logp: 1.1577
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:
C₁₂H₁₈N₂OS
Molecular Weight:
238.35
Synonyms:
None
SMILES:
C1COCCN1C(=S)NC2CC3CC2C=C3
Tpsa:
24.5
Logp:
1.1577
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: C₁₁H₁₁Cl₂NO₂
Molecular Weight: 260.12
Synonyms: None
SMILES: C1CC2=C(C=CC(=C2)O)N(C1)C(=O)C(Cl)Cl
Tpsa: 40.54
Logp: 2.4751
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:
C₁₁H₁₁Cl₂NO₂
Molecular Weight:
260.12
Synonyms:
None
SMILES:
C1CC2=C(C=CC(=C2)O)N(C1)C(=O)C(Cl)Cl
Tpsa:
40.54
Logp:
2.4751
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
1
Purity: 95%
MDL No: None
Storage: 4°C, protect from light
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₁H₁₆FNO₂
Molecular Weight: 213.25
Synonyms: None
SMILES: COC(CNCC1=CC=C(C=C1)F)OC
Tpsa: 30.49
Logp: 1.5342
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 6
Purity:
95%
MDL No:
None
Storage:
4°C, protect from light
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₁H₁₆FNO₂
Molecular Weight:
213.25
Synonyms:
None
SMILES:
COC(CNCC1=CC=C(C=C1)F)OC
Tpsa:
30.49
Logp:
1.5342
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
6