CS-1055087
1-(Tert-butyl) 2-ethyl 5-bromo-1H-pyrrole-1,2-dicarboxylate
Manufacturer: ChemScene
CAS Number: 117657-42-8
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Purity
97%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₁₂H₁₆BrNO₄
Molecular Weight
318.16
Synonyms
None
SMILES
O=C(OCC)C1=CC=C(Br)N1C(=O)OC(C)(C)C
Tpsa
57.53
Logp
3.2105
H Acceptors
5
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: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₂H₁₆BrNO₄
Molecular Weight: 318.16
Synonyms: None
SMILES: O=C(OCC)C1=CC=C(Br)N1C(=O)OC(C)(C)C
Tpsa: 57.53
Logp: 3.2105
H Acceptors: 5
H Donors: 0
Rotatable Bonds: 2
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₂H₁₆BrNO₄
Molecular Weight:
318.16
Synonyms:
None
SMILES:
O=C(OCC)C1=CC=C(Br)N1C(=O)OC(C)(C)C
Tpsa:
57.53
Logp:
3.2105
H Acceptors:
5
H Donors:
0
Rotatable Bonds:
2
Purity: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₁₂N₂O
Molecular Weight: 164.20
Synonyms: None
SMILES: OC1CN(C=2C=CN=CC2)CC1
Tpsa: 36.36
Logp: 0.6526
H Acceptors: 3
H Donors: 1
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:
C₉H₁₂N₂O
Molecular Weight:
164.20
Synonyms:
None
SMILES:
OC1CN(C=2C=CN=CC2)CC1
Tpsa:
36.36
Logp:
0.6526
H Acceptors:
3
H Donors:
1
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: C₁₂H₁₄BrNO
Molecular Weight: 268.15
Synonyms: None
SMILES: O=C1N(C2=CC=C(Br)C=C2CC1)C(C)C
Tpsa: 20.31
Logp: 3.1367
H Acceptors: 1
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:
C₁₂H₁₄BrNO
Molecular Weight:
268.15
Synonyms:
None
SMILES:
O=C1N(C2=CC=C(Br)C=C2CC1)C(C)C
Tpsa:
20.31
Logp:
3.1367
H Acceptors:
1
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: C₈H₈N₂OS
Molecular Weight: 180.23
Synonyms: None
SMILES: OC=1C=CC=2N=C(SC2C1)CN
Tpsa: 59.14
Logp: 1.4606
H Acceptors: 4
H Donors: 2
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:
C₈H₈N₂OS
Molecular Weight:
180.23
Synonyms:
None
SMILES:
OC=1C=CC=2N=C(SC2C1)CN
Tpsa:
59.14
Logp:
1.4606
H Acceptors:
4
H Donors:
2
Rotatable Bonds:
1