CS-1059970
Isobutyl 1H-pyrrole-2-carboxylate
Manufacturer: ChemScene
CAS Number: 864497-13-2
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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
C₉H₁₃NO₂
Molecular Weight
167.21
Synonyms
None
SMILES
O=C(OCC(C)C)C1=CC=CN1
Tpsa
42.09
Logp
1.8275
H Acceptors
2
H Donors
1
Rotatable Bonds
3
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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: C₉H₁₃NO₂
Molecular Weight: 167.21
Synonyms: None
SMILES: O=C(OCC(C)C)C1=CC=CN1
Tpsa: 42.09
Logp: 1.8275
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:
C₉H₁₃NO₂
Molecular Weight:
167.21
Synonyms:
None
SMILES:
O=C(OCC(C)C)C1=CC=CN1
Tpsa:
42.09
Logp:
1.8275
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: C₁₃H₁₃BrN₂
Molecular Weight: 277.16
Synonyms: None
SMILES: BrC=1C=CC=2N=C(C=CC2C1)N3CCCC3
Tpsa: 16.13
Logp: 3.5975
H Acceptors: 2
H Donors: 0
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:
C₁₃H₁₃BrN₂
Molecular Weight:
277.16
Synonyms:
None
SMILES:
BrC=1C=CC=2N=C(C=CC2C1)N3CCCC3
Tpsa:
16.13
Logp:
3.5975
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: C₁₀H₄ClFO₄
Molecular Weight: 242.59
Synonyms: None
SMILES: O=C(O)C=1OC2=CC(F)=C(Cl)C=C2C(=O)C1
Tpsa: 67.51
Logp: 2.2837
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:
C₁₀H₄ClFO₄
Molecular Weight:
242.59
Synonyms:
None
SMILES:
O=C(O)C=1OC2=CC(F)=C(Cl)C=C2C(=O)C1
Tpsa:
67.51
Logp:
2.2837
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: C₉H₉BrN₂
Molecular Weight: 225.09
Synonyms: None
SMILES: BrC=1C=CC2=NC(=CN2C1)CC
Tpsa: 17.3
Logp: 2.6592
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:
C₉H₉BrN₂
Molecular Weight:
225.09
Synonyms:
None
SMILES:
BrC=1C=CC2=NC(=CN2C1)CC
Tpsa:
17.3
Logp:
2.6592
H Acceptors:
2
H Donors:
0
Rotatable Bonds:
1