CS-0254041
2-Fluoro-5-(hex-1-yn-1-yl)benzonitrile
Manufacturer: ChemScene
CAS Number: 2234897-52-8
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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
C₁₃H₁₂FN
Molecular Weight
201.24
Synonyms
None
SMILES
N#CC1=CC(C#CCCCC)=CC=C1F
Tpsa
23.79
Logp
3.23908
H Acceptors
1
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: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₃H₁₂FN
Molecular Weight: 201.24
Synonyms: None
SMILES: N#CC1=CC(C#CCCCC)=CC=C1F
Tpsa: 23.79
Logp: 3.23908
H Acceptors: 1
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:
C₁₃H₁₂FN
Molecular Weight:
201.24
Synonyms:
None
SMILES:
N#CC1=CC(C#CCCCC)=CC=C1F
Tpsa:
23.79
Logp:
3.23908
H Acceptors:
1
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: C₁₇H₁₆O₅
Molecular Weight: 300.31
Synonyms: None
SMILES: O=C1OC(C)(C)OC2=CC(OCC3=CC=CC=C3)=CC(O)=C12
Tpsa: 64.99
Logp: 3.2565
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:
C₁₇H₁₆O₅
Molecular Weight:
300.31
Synonyms:
None
SMILES:
O=C1OC(C)(C)OC2=CC(OCC3=CC=CC=C3)=CC(O)=C12
Tpsa:
64.99
Logp:
3.2565
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: C₁₂H₂₀N₂O₄
Molecular Weight: 256.30
Synonyms: 2-(tert-butoxycarbonyl)-2-Methylpropanoic acid
SMILES: CC(C(O)=O)(C)N(CCC#N)C(OC(C)(C)C)=O
Tpsa: 90.63
Logp: 2.00038
H Acceptors: 4
H Donors: 1
Rotatable Bonds: 4
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₂H₂₀N₂O₄
Molecular Weight:
256.30
Synonyms:
2-(tert-butoxycarbonyl)-2-Methylpropanoic acid
SMILES:
CC(C(O)=O)(C)N(CCC#N)C(OC(C)(C)C)=O
Tpsa:
90.63
Logp:
2.00038
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
4
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₀H₂₅N₃O₃
Molecular Weight: 355.43
Synonyms: None
SMILES: O=C(OC(C)(C)C)NCCN1C(C(C)=NC=C2)=C2C3=C1C=C(OC)C=C3
Tpsa: 65.38
Logp: 4.03122
H Acceptors: 5
H Donors: 1
Rotatable Bonds: 4
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₀H₂₅N₃O₃
Molecular Weight:
355.43
Synonyms:
None
SMILES:
O=C(OC(C)(C)C)NCCN1C(C(C)=NC=C2)=C2C3=C1C=C(OC)C=C3
Tpsa:
65.38
Logp:
4.03122
H Acceptors:
5
H Donors:
1
Rotatable Bonds:
4