CS-1007279
3-Oxo-3',6'-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-spiro[isobenzofuran-1,9'-xanthene]-6-carboxylic acid
Manufacturer: ChemScene
CAS Number: 952745-27-6
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Purity
≥95%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₃₃H₃₄B₂O₉
Molecular Weight
596.24
Synonyms
None
SMILES
O=C(O)C1=CC=C2C(=O)OC3(C4=CC=C(C=C4OC5=CC(=CC=C53)B6OC(C)(C)C(O6)(C)C)B7OC(C)(C)C(O7)(C)C)C2=C1
Tpsa
109.75
Logp
4.5512
H Acceptors
8
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: ≥95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₃₃H₃₄B₂O₉
Molecular Weight: 596.24
Synonyms: None
SMILES: O=C(O)C1=CC=C2C(=O)OC3(C4=CC=C(C=C4OC5=CC(=CC=C53)B6OC(C)(C)C(O6)(C)C)B7OC(C)(C)C(O7)(C)C)C2=C1
Tpsa: 109.75
Logp: 4.5512
H Acceptors: 8
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:
C₃₃H₃₄B₂O₉
Molecular Weight:
596.24
Synonyms:
None
SMILES:
O=C(O)C1=CC=C2C(=O)OC3(C4=CC=C(C=C4OC5=CC(=CC=C53)B6OC(C)(C)C(O6)(C)C)B7OC(C)(C)C(O7)(C)C)C2=C1
Tpsa:
109.75
Logp:
4.5512
H Acceptors:
8
H Donors:
1
Rotatable Bonds:
3
Purity: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₃₄H₃₁BN₂O₂
Molecular Weight: 510.43
Synonyms: None
SMILES: N=1C(=NC(=CC1C=2C=CC(=CC2)B3OC(C)(C)C(O3)(C)C)C=4C=CC(=CC4)C=5C=CC=CC5)C=6C=CC=CC6
Tpsa: 44.24
Logp: 7.4438
H Acceptors: 4
H Donors: 0
Rotatable Bonds: 5
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₄H₃₁BN₂O₂
Molecular Weight:
510.43
Synonyms:
None
SMILES:
N=1C(=NC(=CC1C=2C=CC(=CC2)B3OC(C)(C)C(O3)(C)C)C=4C=CC(=CC4)C=5C=CC=CC5)C=6C=CC=CC6
Tpsa:
44.24
Logp:
7.4438
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
5
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₄₈H₂₉N₃
Molecular Weight: 647.76
Synonyms: None
SMILES: N#CC=1C=CC(=CC1)C=2C=3C=CC=CC3C(C=4C=CC(=CC4)C5=NC=6C=7C=CC=CC7C=8C=CC=CC8C6N5C=9C=CC=CC9)=C%10C=CC=CC%102
Tpsa: 41.61
Logp: 12.51098
H Acceptors: 3
H Donors: 0
Rotatable Bonds: 4
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₄₈H₂₉N₃
Molecular Weight:
647.76
Synonyms:
None
SMILES:
N#CC=1C=CC(=CC1)C=2C=3C=CC=CC3C(C=4C=CC(=CC4)C5=NC=6C=7C=CC=CC7C=8C=CC=CC8C6N5C=9C=CC=CC9)=C%10C=CC=CC%102
Tpsa:
41.61
Logp:
12.51098
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
4
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₄BrF₂N
Molecular Weight: 244.04
Synonyms: None
SMILES: FC=1C=NC2=CC(Br)=C(F)C=C2C1
Tpsa: 12.89
Logp: 3.2755
H Acceptors: 1
H Donors: 0
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:
C₉H₄BrF₂N
Molecular Weight:
244.04
Synonyms:
None
SMILES:
FC=1C=NC2=CC(Br)=C(F)C=C2C1
Tpsa:
12.89
Logp:
3.2755
H Acceptors:
1
H Donors:
0
Rotatable Bonds:
0