CS-0806504
4-(1-Hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-7-yl)butan-2-one
Manufacturer: ChemScene
CAS Number: 1268335-71-2
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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
C₁₁H₁₃BO₃
Molecular Weight
204.03
Synonyms
None
SMILES
B1(C2=C(CO1)C=CC=C2CCC(=O)C)O
Tpsa
46.53
Logp
0.4259
H Acceptors
3
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
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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: C₁₁H₁₃BO₃
Molecular Weight: 204.03
Synonyms: None
SMILES: B1(C2=C(CO1)C=CC=C2CCC(=O)C)O
Tpsa: 46.53
Logp: 0.4259
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:
C₁₁H₁₃BO₃
Molecular Weight:
204.03
Synonyms:
None
SMILES:
B1(C2=C(CO1)C=CC=C2CCC(=O)C)O
Tpsa:
46.53
Logp:
0.4259
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
3
Purity: 97%
MDL No: MFCD22548027
Storage: Store at room temperature
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₅F₃N₂O
Molecular Weight: 214.14
Synonyms: None
SMILES: C1=CC(=NC2=C1C(=O)NC=C2)C(F)(F)F
Tpsa: 45.75
Logp: 1.9419
H Acceptors: 2
H Donors: 1
Rotatable Bonds: 0
Purity:
97%
MDL No:
MFCD22548027
Storage:
Store at room temperature
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₅F₃N₂O
Molecular Weight:
214.14
Synonyms:
None
SMILES:
C1=CC(=NC2=C1C(=O)NC=C2)C(F)(F)F
Tpsa:
45.75
Logp:
1.9419
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
0
Purity: 98%
MDL No: MFCD25497039
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₇H₈F₂N₂O₂
Molecular Weight: 190.15
Synonyms: None
SMILES: COC1=CNC(=O)C(=C1N)C(F)F
Tpsa: 68.11
Logp: 0.9033
H Acceptors: 3
H Donors: 2
Rotatable Bonds: 2
Purity:
98%
MDL No:
MFCD25497039
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₇H₈F₂N₂O₂
Molecular Weight:
190.15
Synonyms:
None
SMILES:
COC1=CNC(=O)C(=C1N)C(F)F
Tpsa:
68.11
Logp:
0.9033
H Acceptors:
3
H Donors:
2
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: C₄H₅BN₂O₃
Molecular Weight: 139.91
Synonyms: None
SMILES: OB(C1=NC=C(O)N=C1)O
Tpsa: 86.47
Logp: -2.138
H Acceptors: 5
H Donors: 3
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:
C₄H₅BN₂O₃
Molecular Weight:
139.91
Synonyms:
None
SMILES:
OB(C1=NC=C(O)N=C1)O
Tpsa:
86.47
Logp:
-2.138
H Acceptors:
5
H Donors:
3
Rotatable Bonds:
1