CS-1100527
tert-Butyl 6-bromo-3,3-difluoro-7-methyl-2,3-dihydro-1H-pyrrolo[3,2-b]pyridine-1-carboxylate
Manufacturer: ChemScene
CAS Number: 3011944-04-7
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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
C₁₃H₁₅BrF₂N₂O₂
Molecular Weight
349.17
Synonyms
None
SMILES
O=C(N1CC(F)(F)C2=NC=C(Br)C(C)=C21)OC(C)(C)C
Tpsa
42.43
Logp
3.99942
H Acceptors
3
H Donors
0
Rotatable Bonds
0
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: C₁₃H₁₅BrF₂N₂O₂
Molecular Weight: 349.17
Synonyms: None
SMILES: O=C(N1CC(F)(F)C2=NC=C(Br)C(C)=C21)OC(C)(C)C
Tpsa: 42.43
Logp: 3.99942
H Acceptors: 3
H Donors: 0
Rotatable Bonds: 0
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₃H₁₅BrF₂N₂O₂
Molecular Weight:
349.17
Synonyms:
None
SMILES:
O=C(N1CC(F)(F)C2=NC=C(Br)C(C)=C21)OC(C)(C)C
Tpsa:
42.43
Logp:
3.99942
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
0
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₅H₁₉BrN₂O₃
Molecular Weight: 355.23
Synonyms: None
SMILES: O=C(N1C2=C(C3CC3)C(Br)=CN=C2OCC1)OC(C)(C)C
Tpsa: 51.66
Logp: 3.8554
H Acceptors: 4
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:
C₁₅H₁₉BrN₂O₃
Molecular Weight:
355.23
Synonyms:
None
SMILES:
O=C(N1C2=C(C3CC3)C(Br)=CN=C2OCC1)OC(C)(C)C
Tpsa:
51.66
Logp:
3.8554
H Acceptors:
4
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: C₇H₇BrClF₃N₂
Molecular Weight: 291.50
Synonyms: None
SMILES: NNC1=CC=CC(C(F)(F)F)=C1Br.[H]Cl
Tpsa: 38.05
Logp: 3.1753
H Acceptors: 2
H Donors: 2
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:
C₇H₇BrClF₃N₂
Molecular Weight:
291.50
Synonyms:
None
SMILES:
NNC1=CC=CC(C(F)(F)F)=C1Br.[H]Cl
Tpsa:
38.05
Logp:
3.1753
H Acceptors:
2
H Donors:
2
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: C₇H₅ClFNO₂
Molecular Weight: 189.57
Synonyms: None
SMILES: O=[N+](C1=CC(CF)=CC=C1Cl)[O-]
Tpsa: 43.14
Logp: 2.7177
H Acceptors: 2
H Donors: 0
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:
C₇H₅ClFNO₂
Molecular Weight:
189.57
Synonyms:
None
SMILES:
O=[N+](C1=CC(CF)=CC=C1Cl)[O-]
Tpsa:
43.14
Logp:
2.7177
H Acceptors:
2
H Donors:
0
Rotatable Bonds:
2