CS-0999542
1-tert-Butyl 2-methyl 4-bromo-3-iodo-5-methyl-1H-pyrrole-1,2-dicarboxylate
Manufacturer: ChemScene
CAS Number: 3025573-15-0
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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
C₁₂H₁₅BrINO₄
Molecular Weight
444.06
Synonyms
None
SMILES
O=C(OC)C1=C(I)C(Br)=C(N1C(=O)OC(C)(C)C)C
Tpsa
57.53
Logp
3.73342
H Acceptors
5
H Donors
0
Rotatable Bonds
1
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: C₁₂H₁₅BrINO₄
Molecular Weight: 444.06
Synonyms: None
SMILES: O=C(OC)C1=C(I)C(Br)=C(N1C(=O)OC(C)(C)C)C
Tpsa: 57.53
Logp: 3.73342
H Acceptors: 5
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:
C₁₂H₁₅BrINO₄
Molecular Weight:
444.06
Synonyms:
None
SMILES:
O=C(OC)C1=C(I)C(Br)=C(N1C(=O)OC(C)(C)C)C
Tpsa:
57.53
Logp:
3.73342
H Acceptors:
5
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: C₉H₁₃F₂N₃O₂
Molecular Weight: 233.22
Synonyms: None
SMILES: FCC(F)CC=1C(=NC(=NC1OC)N)OC
Tpsa: 70.26
Logp: 0.9261
H Acceptors: 5
H Donors: 1
Rotatable Bonds: 5
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₁₃F₂N₃O₂
Molecular Weight:
233.22
Synonyms:
None
SMILES:
FCC(F)CC=1C(=NC(=NC1OC)N)OC
Tpsa:
70.26
Logp:
0.9261
H Acceptors:
5
H Donors:
1
Rotatable Bonds:
5
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₀H₁₆F₂O₄
Molecular Weight: 238.23
Synonyms: None
SMILES: O=C(OCC)C(C(=O)OCC)CCC(F)F
Tpsa: 52.6
Logp: 1.7741
H Acceptors: 4
H Donors: 0
Rotatable Bonds: 7
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₀H₁₆F₂O₄
Molecular Weight:
238.23
Synonyms:
None
SMILES:
O=C(OCC)C(C(=O)OCC)CCC(F)F
Tpsa:
52.6
Logp:
1.7741
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
7
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₇H₇Cl₂F₂N₃
Molecular Weight: 242.05
Synonyms: None
SMILES: FC(F)CCC1=C(Cl)N=C(N=C1Cl)N
Tpsa: 51.8
Logp: 2.5633
H Acceptors: 3
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:
C₇H₇Cl₂F₂N₃
Molecular Weight:
242.05
Synonyms:
None
SMILES:
FC(F)CCC1=C(Cl)N=C(N=C1Cl)N
Tpsa:
51.8
Logp:
2.5633
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
3