CS-0566895
6-(tert-Butyl)-2-fluoronicotinic acid
Manufacturer: ChemScene
CAS Number: 2135573-51-0
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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
C₁₀H₁₂FNO₂
Molecular Weight
197.21
Synonyms
None
SMILES
O=C(C1=CC=C(C(C)(C)C)N=C1F)O
Tpsa
50.19
Logp
2.2164
H Acceptors
2
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: C₁₀H₁₂FNO₂
Molecular Weight: 197.21
Synonyms: None
SMILES: O=C(C1=CC=C(C(C)(C)C)N=C1F)O
Tpsa: 50.19
Logp: 2.2164
H Acceptors: 2
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:
C₁₀H₁₂FNO₂
Molecular Weight:
197.21
Synonyms:
None
SMILES:
O=C(C1=CC=C(C(C)(C)C)N=C1F)O
Tpsa:
50.19
Logp:
2.2164
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
1
Purity: 98%
MDL No: None
Storage: 4°C
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₇H₁₀N₂
Molecular Weight: 122.17
Synonyms: None
SMILES: C1(CC2CC2)=CNN=C1
Tpsa: 28.68
Logp: 1.3622
H Acceptors: 1
H Donors: 1
Rotatable Bonds: 2
Purity:
98%
MDL No:
None
Storage:
4°C
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₇H₁₀N₂
Molecular Weight:
122.17
Synonyms:
None
SMILES:
C1(CC2CC2)=CNN=C1
Tpsa:
28.68
Logp:
1.3622
H Acceptors:
1
H Donors:
1
Rotatable Bonds:
2
Purity: 96%
MDL No: MFCD18415040
Storage: Store at room temperature
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₃H₁₂O₃
Molecular Weight: 216.23
Synonyms: methyl 6-hydroxymethyl-2-naphthoate
SMILES: O=C(C1=CC2=CC=C(CO)C=C2C=C1)OC
Tpsa: 46.53
Logp: 2.1187
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 2
Purity:
96%
MDL No:
MFCD18415040
Storage:
Store at room temperature
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₃H₁₂O₃
Molecular Weight:
216.23
Synonyms:
methyl 6-hydroxymethyl-2-naphthoate
SMILES:
O=C(C1=CC2=CC=C(CO)C=C2C=C1)OC
Tpsa:
46.53
Logp:
2.1187
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: C₁₂H₁₈BrNO₄
Molecular Weight: 320.18
Synonyms: 1,4(2H)-Pyridinedicarboxylic acid, 3-bromo-5,6-dihydro-, 1-(1,1-dimethylethyl) 4-methyl ester
SMILES: O=C(N1CCC(C(OC)=O)=C(Br)C1)OC(C)(C)C
Tpsa: 55.84
Logp: 2.4492
H Acceptors: 4
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:
C₁₂H₁₈BrNO₄
Molecular Weight:
320.18
Synonyms:
1,4(2H)-Pyridinedicarboxylic acid, 3-bromo-5,6-dihydro-, 1-(1,1-dimethylethyl) 4-methyl ester
SMILES:
O=C(N1CCC(C(OC)=O)=C(Br)C1)OC(C)(C)C
Tpsa:
55.84
Logp:
2.4492
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
1