CS-0522252
Methyl 5-fluoro-2-(piperazin-1-yl)benzoate
Manufacturer: ChemScene
CAS Number: 2114966-39-9
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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
C₁₂H₁₅FN₂O₂
Molecular Weight
238.26
Synonyms
Benzoic acid, 5-fluoro-2-(1-piperazinyl)-, methyl ester
SMILES
O=C(OC)C1=CC(F)=CC=C1N2CCNCC2
Tpsa
41.57
Logp
1.0219
H Acceptors
4
H Donors
1
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
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: C₁₂H₁₅FN₂O₂
Molecular Weight: 238.26
Synonyms: Benzoic acid, 5-fluoro-2-(1-piperazinyl)-, methyl ester
SMILES: O=C(OC)C1=CC(F)=CC=C1N2CCNCC2
Tpsa: 41.57
Logp: 1.0219
H Acceptors: 4
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:
C₁₂H₁₅FN₂O₂
Molecular Weight:
238.26
Synonyms:
Benzoic acid, 5-fluoro-2-(1-piperazinyl)-, methyl ester
SMILES:
O=C(OC)C1=CC(F)=CC=C1N2CCNCC2
Tpsa:
41.57
Logp:
1.0219
H Acceptors:
4
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: C₁₀H₄F₃NS
Molecular Weight: 227.21
Synonyms: None
SMILES: N#CC1=CC2=C(C(F)(F)F)C=CC=C2S1
Tpsa: 23.79
Logp: 3.79178
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:
C₁₀H₄F₃NS
Molecular Weight:
227.21
Synonyms:
None
SMILES:
N#CC1=CC2=C(C(F)(F)F)C=CC=C2S1
Tpsa:
23.79
Logp:
3.79178
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: C₁₀H₁₁NO₄
Molecular Weight: 209.20
Synonyms: None
SMILES: CC(C1=CC=CC([N+]([O-])=O)=C1)CC(O)=O
Tpsa: 80.44
Logp: 2.173
H Acceptors: 3
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:
C₁₀H₁₁NO₄
Molecular Weight:
209.20
Synonyms:
None
SMILES:
CC(C1=CC=CC([N+]([O-])=O)=C1)CC(O)=O
Tpsa:
80.44
Logp:
2.173
H Acceptors:
3
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: C₆H₅FO₃
Molecular Weight: 144.10
Synonyms: None
SMILES: O=C(C1=C(F)C=CO1)OC
Tpsa: 39.44
Logp: 1.2053
H Acceptors: 3
H Donors: 0
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:
C₆H₅FO₃
Molecular Weight:
144.10
Synonyms:
None
SMILES:
O=C(C1=C(F)C=CO1)OC
Tpsa:
39.44
Logp:
1.2053
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
1