CS-1087800
Tert-butyl 3-bromo-4-hydroxy-2-methyl-6H-pyrrolo[1,2-b]pyrazole-5-carboxylate, sodium salt
Manufacturer: ChemScene
CAS Number: 2940954-71-0
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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
C₁₂H₁₅BrN₂NaO₃
Molecular Weight
338.15
Synonyms
None
SMILES
[Na].O=C(OC(C)(C)C)C1=C(O)C2=C(Br)C(=NN2C1)C
Tpsa
64.35
Logp
2.19762
H Acceptors
5
H Donors
1
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: C₁₂H₁₅BrN₂NaO₃
Molecular Weight: 338.15
Synonyms: None
SMILES: [Na].O=C(OC(C)(C)C)C1=C(O)C2=C(Br)C(=NN2C1)C
Tpsa: 64.35
Logp: 2.19762
H Acceptors: 5
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:
C₁₂H₁₅BrN₂NaO₃
Molecular Weight:
338.15
Synonyms:
None
SMILES:
[Na].O=C(OC(C)(C)C)C1=C(O)C2=C(Br)C(=NN2C1)C
Tpsa:
64.35
Logp:
2.19762
H Acceptors:
5
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: C₁₂H₁₂N₂O₃
Molecular Weight: 232.24
Synonyms: None
SMILES: O=C1NC2=C(C=C(C=C2C(=O)C)C)C(=O)N1C
Tpsa: 71.93
Logp: 0.73782
H Acceptors: 4
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:
C₁₂H₁₂N₂O₃
Molecular Weight:
232.24
Synonyms:
None
SMILES:
O=C1NC2=C(C=C(C=C2C(=O)C)C)C(=O)N1C
Tpsa:
71.93
Logp:
0.73782
H Acceptors:
4
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: C₈H₉IN₄
Molecular Weight: 288.09
Synonyms: None
SMILES: IC1=CN(C=2N=CN=C(NC)C12)C
Tpsa: 42.74
Logp: 1.6146
H Acceptors: 4
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:
C₈H₉IN₄
Molecular Weight:
288.09
Synonyms:
None
SMILES:
IC1=CN(C=2N=CN=C(NC)C12)C
Tpsa:
42.74
Logp:
1.6146
H Acceptors:
4
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: C₁₃H₁₀F₂O₂
Molecular Weight: 236.21
Synonyms: None
SMILES: O=C(O)C=1C=CC2=CC(=CC=C2C1)C(F)(F)C
Tpsa: 37.3
Logp: 3.6497
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:
C₁₃H₁₀F₂O₂
Molecular Weight:
236.21
Synonyms:
None
SMILES:
O=C(O)C=1C=CC2=CC(=CC=C2C1)C(F)(F)C
Tpsa:
37.3
Logp:
3.6497
H Acceptors:
1
H Donors:
1
Rotatable Bonds:
2