CS-0374517
tert-Butyl 3-ethynyl-5-fluoro-1H-indole-1-carboxylate
Manufacturer: ChemScene
CAS Number: 1402666-90-3
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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
C₁₅H₁₄FNO₂
Molecular Weight
259.28
Synonyms
None
SMILES
O=C(N1C=C(C#C)C2=C1C=CC(F)=C2)OC(C)(C)C
Tpsa
31.23
Logp
3.5449
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: C₁₅H₁₄FNO₂
Molecular Weight: 259.28
Synonyms: None
SMILES: O=C(N1C=C(C#C)C2=C1C=CC(F)=C2)OC(C)(C)C
Tpsa: 31.23
Logp: 3.5449
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:
C₁₅H₁₄FNO₂
Molecular Weight:
259.28
Synonyms:
None
SMILES:
O=C(N1C=C(C#C)C2=C1C=CC(F)=C2)OC(C)(C)C
Tpsa:
31.23
Logp:
3.5449
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: C₁₅H₂₁BO₅
Molecular Weight: 292.14
Synonyms: Benzoic acid, 2-methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, methyl ester
SMILES: O=C(OC)C1=CC=CC(B2OC(C)(C)C(C)(C)O2)=C1OC
Tpsa: 53.99
Logp: 1.781
H Acceptors: 5
H Donors: 0
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:
C₁₅H₂₁BO₅
Molecular Weight:
292.14
Synonyms:
Benzoic acid, 2-methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, methyl ester
SMILES:
O=C(OC)C1=CC=CC(B2OC(C)(C)C(C)(C)O2)=C1OC
Tpsa:
53.99
Logp:
1.781
H Acceptors:
5
H Donors:
0
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: C₁₃H₂₄N₂O₄
Molecular Weight: 272.34
Synonyms: None
SMILES: CC(C)(C)OC(N1[C@H](CCC1)C[C@@H](N)C(OC)=O)=O
Tpsa: 81.86
Logp: 1.2763
H Acceptors: 5
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:
C₁₃H₂₄N₂O₄
Molecular Weight:
272.34
Synonyms:
None
SMILES:
CC(C)(C)OC(N1[C@H](CCC1)C[C@@H](N)C(OC)=O)=O
Tpsa:
81.86
Logp:
1.2763
H Acceptors:
5
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: C₁₆H₁₈INO₄
Molecular Weight: 415.22
Synonyms: ethyl 1-(tert-butoxycarbonyl)-3-iodo-1H-indole-2-carboxylate
SMILES: O=C(N1C(C(OCC)=O)=C(I)C2=C1C=CC=C2)OC(C)(C)C
Tpsa: 57.53
Logp: 4.2058
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:
C₁₆H₁₈INO₄
Molecular Weight:
415.22
Synonyms:
ethyl 1-(tert-butoxycarbonyl)-3-iodo-1H-indole-2-carboxylate
SMILES:
O=C(N1C(C(OCC)=O)=C(I)C2=C1C=CC=C2)OC(C)(C)C
Tpsa:
57.53
Logp:
4.2058
H Acceptors:
5
H Donors:
0
Rotatable Bonds:
2