CS-0805396
4-(Aminomethyl)-3-cyano-2-((trifluoromethyl)thio)benzoic acid
Manufacturer: ChemScene
CAS Number: 1805589-64-3
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Purity
98%
MDL No
MFCD28727062
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₁₀H₇F₃N₂O₂S
Molecular Weight
276.23
Synonyms
None
SMILES
C1=CC(=C(C(=C1CN)C#N)SC(F)(F)F)C(=O)O
Tpsa
87.11
Logp
2.32708
H Acceptors
4
H Donors
2
Rotatable Bonds
3
Related Products
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: MFCD28727062
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₀H₇F₃N₂O₂S
Molecular Weight: 276.23
Synonyms: None
SMILES: C1=CC(=C(C(=C1CN)C#N)SC(F)(F)F)C(=O)O
Tpsa: 87.11
Logp: 2.32708
H Acceptors: 4
H Donors: 2
Rotatable Bonds: 3
Purity:
98%
MDL No:
MFCD28727062
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₀H₇F₃N₂O₂S
Molecular Weight:
276.23
Synonyms:
None
SMILES:
C1=CC(=C(C(=C1CN)C#N)SC(F)(F)F)C(=O)O
Tpsa:
87.11
Logp:
2.32708
H Acceptors:
4
H Donors:
2
Rotatable Bonds:
3
Purity: 98%
MDL No: MFCD25486414
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₇H₃Br₂F₂NO
Molecular Weight: 314.91
Synonyms: None
SMILES: C1=C(C(=C(N=C1Br)C(F)F)C=O)Br
Tpsa: 29.96
Logp: 3.3567
H Acceptors: 2
H Donors: 0
Rotatable Bonds: 2
Purity:
98%
MDL No:
MFCD25486414
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₇H₃Br₂F₂NO
Molecular Weight:
314.91
Synonyms:
None
SMILES:
C1=C(C(=C(N=C1Br)C(F)F)C=O)Br
Tpsa:
29.96
Logp:
3.3567
H Acceptors:
2
H Donors:
0
Rotatable Bonds:
2
Purity: 98%
MDL No: MFCD08059745
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₁₂N₂O₂
Molecular Weight: 180.20
Synonyms: None
SMILES: CN(CC1=CC=NC=C1)CC(=O)O
Tpsa: 53.43
Logp: 0.598
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 4
Purity:
98%
MDL No:
MFCD08059745
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₁₂N₂O₂
Molecular Weight:
180.20
Synonyms:
None
SMILES:
CN(CC1=CC=NC=C1)CC(=O)O
Tpsa:
53.43
Logp:
0.598
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
4
Purity: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₀H₁₁BFNO₃
Molecular Weight: 223.01
Synonyms: None
SMILES: FC1=CC(B(O)O)=CC=C1C(N2CCC2)=O
Tpsa: 60.77
Logp: -0.6486
H Acceptors: 3
H Donors: 2
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:
C₁₀H₁₁BFNO₃
Molecular Weight:
223.01
Synonyms:
None
SMILES:
FC1=CC(B(O)O)=CC=C1C(N2CCC2)=O
Tpsa:
60.77
Logp:
-0.6486
H Acceptors:
3
H Donors:
2
Rotatable Bonds:
2