CS-0997868
(R)-3-Fluoro-4-(3-methoxypyrrolidin-1-yl)benzoic acid
Manufacturer: ChemScene
CAS Number: 2246697-57-2
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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
C₁₂H₁₄FNO₃
Molecular Weight
239.24
Synonyms
None
SMILES
O=C(O)C1=CC=C(N2C[C@H](OC)CC2)C(F)=C1
Tpsa
49.77
Logp
1.749
H Acceptors
3
H Donors
1
Rotatable Bonds
3
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: C₁₂H₁₄FNO₃
Molecular Weight: 239.24
Synonyms: None
SMILES: O=C(O)C1=CC=C(N2C[C@H](OC)CC2)C(F)=C1
Tpsa: 49.77
Logp: 1.749
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:
C₁₂H₁₄FNO₃
Molecular Weight:
239.24
Synonyms:
None
SMILES:
O=C(O)C1=CC=C(N2C[C@H](OC)CC2)C(F)=C1
Tpsa:
49.77
Logp:
1.749
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
3
Purity: 97%
MDL No: None
Storage: 4°C, protect from light
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₈H₁₇N₃O₅
Molecular Weight: 355.34
Synonyms: None
SMILES: O=C1C2=CC=CC(N3CCC(CC3)=O)=C2C(N1C4C(NC(CC4)=O)=O)=O
Tpsa: 103.86
Logp: 0.2571
H Acceptors: 6
H Donors: 1
Rotatable Bonds: 2
Purity:
97%
MDL No:
None
Storage:
4°C, protect from light
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₈H₁₇N₃O₅
Molecular Weight:
355.34
Synonyms:
None
SMILES:
O=C1C2=CC=CC(N3CCC(CC3)=O)=C2C(N1C4C(NC(CC4)=O)=O)=O
Tpsa:
103.86
Logp:
0.2571
H Acceptors:
6
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: C₇H₉N₃O
Molecular Weight: 151.17
Synonyms: None
SMILES: CC1=NN=C2C(OCCN2)=C1
Tpsa: 47.04
Logp: 0.58932
H Acceptors: 4
H Donors: 1
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:
C₇H₉N₃O
Molecular Weight:
151.17
Synonyms:
None
SMILES:
CC1=NN=C2C(OCCN2)=C1
Tpsa:
47.04
Logp:
0.58932
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
0
Purity: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₂H₁₂BrFN₂O
Molecular Weight: 299.14
Synonyms: None
SMILES: FC1=CC(Br)=CC2=C1N(C3CCCCO3)N=C2
Tpsa: 27.05
Logp: 3.637
H Acceptors: 3
H Donors: 0
Rotatable Bonds: 1
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₂H₁₂BrFN₂O
Molecular Weight:
299.14
Synonyms:
None
SMILES:
FC1=CC(Br)=CC2=C1N(C3CCCCO3)N=C2
Tpsa:
27.05
Logp:
3.637
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
1