CS-1064593
Methyl 2-amino-3,6-difluoro-5-(3,3,3-trifluoroprop-1-yn-1-yl)benzoate
Manufacturer: ChemScene
CAS Number: 2604102-07-8
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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
C₁₁H₆F₅NO₂
Molecular Weight
279.16
Synonyms
None
SMILES
O=C(OC)C1=C(F)C(C#CC(F)(F)F)=CC(F)=C1N
Tpsa
52.32
Logp
2.2474
H Acceptors
3
H Donors
1
Rotatable Bonds
1
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: C₁₁H₆F₅NO₂
Molecular Weight: 279.16
Synonyms: None
SMILES: O=C(OC)C1=C(F)C(C#CC(F)(F)F)=CC(F)=C1N
Tpsa: 52.32
Logp: 2.2474
H Acceptors: 3
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:
C₁₁H₆F₅NO₂
Molecular Weight:
279.16
Synonyms:
None
SMILES:
O=C(OC)C1=C(F)C(C#CC(F)(F)F)=CC(F)=C1N
Tpsa:
52.32
Logp:
2.2474
H Acceptors:
3
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: C₁₀H₈Cl₂N₂
Molecular Weight: 227.09
Synonyms: None
SMILES: ClC=1N=CC2=CC=C(N=C2C1)CCCl
Tpsa: 25.78
Logp: 3.0645
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:
C₁₀H₈Cl₂N₂
Molecular Weight:
227.09
Synonyms:
None
SMILES:
ClC=1N=CC2=CC=C(N=C2C1)CCCl
Tpsa:
25.78
Logp:
3.0645
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: C₁₁H₁₀N₂O
Molecular Weight: 186.21
Synonyms: None
SMILES: OCC=1C=CC=2N=C(C#CC)NC2C1
Tpsa: 48.91
Logp: 1.4266
H Acceptors: 2
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:
C₁₁H₁₀N₂O
Molecular Weight:
186.21
Synonyms:
None
SMILES:
OCC=1C=CC=2N=C(C#CC)NC2C1
Tpsa:
48.91
Logp:
1.4266
H Acceptors:
2
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: C₈H₆BrF₃N₂
Molecular Weight: 267.05
Synonyms: None
SMILES: FC(F)(F)C#CC1=C(Br)N(N=C1C)C
Tpsa: 17.82
Logp: 2.40482
H Acceptors: 2
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:
C₈H₆BrF₃N₂
Molecular Weight:
267.05
Synonyms:
None
SMILES:
FC(F)(F)C#CC1=C(Br)N(N=C1C)C
Tpsa:
17.82
Logp:
2.40482
H Acceptors:
2
H Donors:
0
Rotatable Bonds:
0