CS-0134677
2,5-Difluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid
Manufacturer: ChemScene
CAS Number: 1383968-46-4
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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
C₁₃H₁₅BF₂O₄
Molecular Weight
284.06
Synonyms
None
SMILES
O=C(C1=CC(F)=C(C=C1F)B2OC(C)(C(C)(O2)C)C)O
Tpsa
55.76
Logp
1.9622
H Acceptors
3
H Donors
1
Rotatable Bonds
2
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SAFETY INFORMATION
Pictograms
Signal Word
Danger
UN Number
2811
Class
6.1
Packing Group
Ⅲ
Hazard Statements
Precautionary Statements
P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P361-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: C₁₃H₁₅BF₂O₄
Molecular Weight: 284.06
Synonyms: None
SMILES: O=C(C1=CC(F)=C(C=C1F)B2OC(C)(C(C)(O2)C)C)O
Tpsa: 55.76
Logp: 1.9622
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:
C₁₃H₁₅BF₂O₄
Molecular Weight:
284.06
Synonyms:
None
SMILES:
O=C(C1=CC(F)=C(C=C1F)B2OC(C)(C(C)(O2)C)C)O
Tpsa:
55.76
Logp:
1.9622
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
2
Purity: 97%
MDL No: MFCD17215885
Storage: 4°C
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₈H₈BrNO₂
Molecular Weight: 230.06
Synonyms: 3-(5-Bromo-2-pyridyl)-3-oxetanol
SMILES: OC1(C2=NC=C(Br)C=C2)COC1
Tpsa: 42.35
Logp: 1.0619
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 1
Purity:
97%
MDL No:
MFCD17215885
Storage:
4°C
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₈H₈BrNO₂
Molecular Weight:
230.06
Synonyms:
3-(5-Bromo-2-pyridyl)-3-oxetanol
SMILES:
OC1(C2=NC=C(Br)C=C2)COC1
Tpsa:
42.35
Logp:
1.0619
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
1
Purity: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₃H₁₉NO₂
Molecular Weight: 221.30
Synonyms: tert-butyl 3-phenyl-3-amino-propanoate
SMILES: O=C(OC(C)(C)C)CC(N)C1=CC=CC=C1
Tpsa: 52.32
Logp: 2.4182
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 3
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₃H₁₉NO₂
Molecular Weight:
221.30
Synonyms:
tert-butyl 3-phenyl-3-amino-propanoate
SMILES:
O=C(OC(C)(C)C)CC(N)C1=CC=CC=C1
Tpsa:
52.32
Logp:
2.4182
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
3
Purity: 98%
MDL No: None
Storage: Store at room temperature
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₈H₅F₂NO₄
Molecular Weight: 217.13
Synonyms: Benzoic acid, 3,5-difluoro-4-nitro-, methyl ester
SMILES: O=C(OC)C1=CC(F)=C([N+]([O-])=O)C(F)=C1
Tpsa: 69.44
Logp: 1.6596
H Acceptors: 4
H Donors: 0
Rotatable Bonds: 2
Purity:
98%
MDL No:
None
Storage:
Store at room temperature
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₈H₅F₂NO₄
Molecular Weight:
217.13
Synonyms:
Benzoic acid, 3,5-difluoro-4-nitro-, methyl ester
SMILES:
O=C(OC)C1=CC(F)=C([N+]([O-])=O)C(F)=C1
Tpsa:
69.44
Logp:
1.6596
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
2