CS-0226707
2-(Pyrimidin-4-yl)benzoic acid hydrochloride
Manufacturer: ChemScene
CAS Number: 1429505-74-7
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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
C₁₁H₉ClN₂O₂
Molecular Weight
236.65
Synonyms
None
SMILES
O=C(O)C1=CC=CC=C1C2=NC=NC=C2.[H]Cl
Tpsa
63.08
Logp
2.2636
H Acceptors
3
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: C₁₁H₉ClN₂O₂
Molecular Weight: 236.65
Synonyms: None
SMILES: O=C(O)C1=CC=CC=C1C2=NC=NC=C2.[H]Cl
Tpsa: 63.08
Logp: 2.2636
H Acceptors: 3
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:
C₁₁H₉ClN₂O₂
Molecular Weight:
236.65
Synonyms:
None
SMILES:
O=C(O)C1=CC=CC=C1C2=NC=NC=C2.[H]Cl
Tpsa:
63.08
Logp:
2.2636
H Acceptors:
3
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: C₁₃H₁₈N₂O₂
Molecular Weight: 234.29
Synonyms: METHYL 3-((PIPERAZIN-1-YL)methyl) benzoate
SMILES: O=C(OC)C1=CC=CC(CN2CCNCC2)=C1
Tpsa: 41.57
Logp: 0.8784
H Acceptors: 4
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:
C₁₃H₁₈N₂O₂
Molecular Weight:
234.29
Synonyms:
METHYL 3-((PIPERAZIN-1-YL)methyl) benzoate
SMILES:
O=C(OC)C1=CC=CC(CN2CCNCC2)=C1
Tpsa:
41.57
Logp:
0.8784
H Acceptors:
4
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: C₁₂H₁₅F₃N₂O
Molecular Weight: 260.26
Synonyms: 1-[3-(Trifluoromethoxy)benzyl]piperazine
SMILES: FC(F)(F)OC1=CC(CN2CCNCC2)=CC=C1
Tpsa: 24.5
Logp: 1.9904
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:
C₁₂H₁₅F₃N₂O
Molecular Weight:
260.26
Synonyms:
1-[3-(Trifluoromethoxy)benzyl]piperazine
SMILES:
FC(F)(F)OC1=CC(CN2CCNCC2)=CC=C1
Tpsa:
24.5
Logp:
1.9904
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: C₁₄H₁₉BrO₃
Molecular Weight: 315.20
Synonyms: None
SMILES: CC(C)(OC1=CC=CC(Br)=C1)C(OC(C)(C)C)=O
Tpsa: 35.53
Logp: 3.9482
H Acceptors: 3
H Donors: 0
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:
C₁₄H₁₉BrO₃
Molecular Weight:
315.20
Synonyms:
None
SMILES:
CC(C)(OC1=CC=CC(Br)=C1)C(OC(C)(C)C)=O
Tpsa:
35.53
Logp:
3.9482
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
3