CS-0568438
(S)-2-(3-(1-Aminoethyl)-2-fluorophenyl)-2,2-difluoroacetonitrile
Manufacturer: ChemScene
CAS Number: 2641906-59-2
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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
C₁₀H₉F₃N₂
Molecular Weight
214.19
Synonyms
None
SMILES
N[C@@H](C)C(C=CC=C1C(F)(C#N)F)=C1F
Tpsa
49.81
Logp
2.46078
H Acceptors
2
H Donors
1
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: C₁₀H₉F₃N₂
Molecular Weight: 214.19
Synonyms: None
SMILES: N[C@@H](C)C(C=CC=C1C(F)(C#N)F)=C1F
Tpsa: 49.81
Logp: 2.46078
H Acceptors: 2
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:
C₁₀H₉F₃N₂
Molecular Weight:
214.19
Synonyms:
None
SMILES:
N[C@@H](C)C(C=CC=C1C(F)(C#N)F)=C1F
Tpsa:
49.81
Logp:
2.46078
H Acceptors:
2
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: C₈H₆INO₄
Molecular Weight: 307.04
Synonyms: Benzoic acid, 3-iodo-4-nitro-, methyl ester
SMILES: O=C(OC)C1=CC=C([N+]([O-])=O)C(I)=C1
Tpsa: 69.44
Logp: 1.986
H Acceptors: 4
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:
C₈H₆INO₄
Molecular Weight:
307.04
Synonyms:
Benzoic acid, 3-iodo-4-nitro-, methyl ester
SMILES:
O=C(OC)C1=CC=C([N+]([O-])=O)C(I)=C1
Tpsa:
69.44
Logp:
1.986
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
2
Purity: 98%
MDL No: MFCD18411484
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₄HIN₂S
Molecular Weight: 236.03
Synonyms: None
SMILES: N#CC1=CSC(I)=N1
Tpsa: 36.68
Logp: 1.61938
H Acceptors: 3
H Donors: 0
Rotatable Bonds: 0
Purity:
98%
MDL No:
MFCD18411484
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₄HIN₂S
Molecular Weight:
236.03
Synonyms:
None
SMILES:
N#CC1=CSC(I)=N1
Tpsa:
36.68
Logp:
1.61938
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: C₁₀H₆F₃NO
Molecular Weight: 213.16
Synonyms: None
SMILES: CC(C(C=CC=C1C(F)(C#N)F)=C1F)=O
Tpsa: 40.86
Logp: 2.64368
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:
C₁₀H₆F₃NO
Molecular Weight:
213.16
Synonyms:
None
SMILES:
CC(C(C=CC=C1C(F)(C#N)F)=C1F)=O
Tpsa:
40.86
Logp:
2.64368
H Acceptors:
2
H Donors:
0
Rotatable Bonds:
2