CS-0464391
3-(3,3-Difluoroazetidin-1-yl)isonicotinaldehyde
Manufacturer: ChemScene
CAS Number: 1774895-44-1
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Purity
98%
MDL No
MFCD28013618
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₉H₈F₂N₂O
Molecular Weight
198.17
Synonyms
None
SMILES
C1=C(C=O)C(=CN=C1)N2CC(C2)(F)F
Tpsa
33.2
Logp
1.3494
H Acceptors
3
H Donors
0
Rotatable Bonds
2
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SAFETY INFORMATION
Pictograms
Signal Word
Warning
UN Number
N/A
Class
N/A
Packing Group
N/A
Hazard Statements
Precautionary Statements
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Purity: 98%
MDL No: MFCD28013618
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₈F₂N₂O
Molecular Weight: 198.17
Synonyms: None
SMILES: C1=C(C=O)C(=CN=C1)N2CC(C2)(F)F
Tpsa: 33.2
Logp: 1.3494
H Acceptors: 3
H Donors: 0
Rotatable Bonds: 2
Purity:
98%
MDL No:
MFCD28013618
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₈F₂N₂O
Molecular Weight:
198.17
Synonyms:
None
SMILES:
C1=C(C=O)C(=CN=C1)N2CC(C2)(F)F
Tpsa:
33.2
Logp:
1.3494
H Acceptors:
3
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: C₁₀H₁₆ClN₃O
Molecular Weight: 229.71
Synonyms: 2-Cyclopropyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one hydrochloride
SMILES: C1CC1C2=NC(=O)C3(CCNCC3)N2.Cl
Tpsa: 53.49
Logp: 0.4687
H Acceptors: 3
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:
C₁₀H₁₆ClN₃O
Molecular Weight:
229.71
Synonyms:
2-Cyclopropyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one hydrochloride
SMILES:
C1CC1C2=NC(=O)C3(CCNCC3)N2.Cl
Tpsa:
53.49
Logp:
0.4687
H Acceptors:
3
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: C₁₈H₂₂FN₃O₃
Molecular Weight: 347.38
Synonyms: tert-Butyl 2-(2-fluorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxylate
SMILES: CC(C)(C)OC(=O)N1CCC2(CC1)C(=O)N=C(C3=CC=CC=C3F)N2
Tpsa: 71
Logp: 2.4718
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:
C₁₈H₂₂FN₃O₃
Molecular Weight:
347.38
Synonyms:
tert-Butyl 2-(2-fluorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxylate
SMILES:
CC(C)(C)OC(=O)N1CCC2(CC1)C(=O)N=C(C3=CC=CC=C3F)N2
Tpsa:
71
Logp:
2.4718
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: C₇H₁₂O₄S
Molecular Weight: 192.23
Synonyms: 1-Ethanesulfonyl-cyclobutanecarboxylic acid
SMILES: CCS(=O)(=O)C1(CCC1)C(=O)O
Tpsa: 71.44
Logp: 0.4284
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:
C₇H₁₂O₄S
Molecular Weight:
192.23
Synonyms:
1-Ethanesulfonyl-cyclobutanecarboxylic acid
SMILES:
CCS(=O)(=O)C1(CCC1)C(=O)O
Tpsa:
71.44
Logp:
0.4284
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
3