CS-0641941
Methyl 5-(difluoromethyl)-6-(hydroxymethyl)nicotinate
Manufacturer: ChemScene
CAS Number: 2057426-15-8
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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
C₉H₉F₂NO₃
Molecular Weight
217.17
Synonyms
None
SMILES
O=C(C1=CC(C(F)F)=C(CO)N=C1)OC
Tpsa
59.42
Logp
1.2981
H Acceptors
4
H Donors
1
Rotatable Bonds
3
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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: C₉H₉F₂NO₃
Molecular Weight: 217.17
Synonyms: None
SMILES: O=C(C1=CC(C(F)F)=C(CO)N=C1)OC
Tpsa: 59.42
Logp: 1.2981
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:
C₉H₉F₂NO₃
Molecular Weight:
217.17
Synonyms:
None
SMILES:
O=C(C1=CC(C(F)F)=C(CO)N=C1)OC
Tpsa:
59.42
Logp:
1.2981
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: C₈H₇F₃O
Molecular Weight: 176.14
Synonyms: None
SMILES: OC1=CC=C(CC(F)(F)F)C=C1
Tpsa: 20.23
Logp: 2.497
H Acceptors: 1
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:
C₈H₇F₃O
Molecular Weight:
176.14
Synonyms:
None
SMILES:
OC1=CC=C(CC(F)(F)F)C=C1
Tpsa:
20.23
Logp:
2.497
H Acceptors:
1
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: C₈H₁₂BrF
Molecular Weight: 207.08
Synonyms: None
SMILES: FC1(CBr)CC2(CCC2)C1
Tpsa: 0
Logp: 3.0537
H Acceptors: 0
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:
C₈H₁₂BrF
Molecular Weight:
207.08
Synonyms:
None
SMILES:
FC1(CBr)CC2(CCC2)C1
Tpsa:
0
Logp:
3.0537
H Acceptors:
0
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: C₁₃H₁₆N₂O₅
Molecular Weight: 280.28
Synonyms: None
SMILES: O=C(C1=CC(NC(OC(C)(C)C)=O)=C(C=O)N=C1)OC
Tpsa: 94.59
Logp: 2.0277
H Acceptors: 6
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:
C₁₃H₁₆N₂O₅
Molecular Weight:
280.28
Synonyms:
None
SMILES:
O=C(C1=CC(NC(OC(C)(C)C)=O)=C(C=O)N=C1)OC
Tpsa:
94.59
Logp:
2.0277
H Acceptors:
6
H Donors:
1
Rotatable Bonds:
3