AI31839
1352796-63-4 | 4-(Tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-1,3-benzodiazole
Manufacturer: A2B Chem
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CatalogNumber
AI31839
ChemicalName
4-(Tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-1,3-benzodiazole
CasNumber
1352796-63-4
MolecularFormula
C13H17BN2O2
MolecularWeight
244.09727999999996
MdlNumber
MFCD16995906
Smiles
CC1(C)OB(OC1(C)C)c1cccc2c1[nH]cn2
Complexity
319
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
1
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CatalogNumber: AI31839
ChemicalName: 4-(Tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-1,3-benzodiazole
CasNumber: 1352796-63-4
MolecularFormula: C13H17BN2O2
MolecularWeight: 244.09727999999996
MdlNumber: MFCD16995906
Smiles: CC1(C)OB(OC1(C)C)c1cccc2c1[nH]cn2
Complexity: 319
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 1
CatalogNumber:
AI31839
ChemicalName:
4-(Tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-1,3-benzodiazole
CasNumber:
1352796-63-4
MolecularFormula:
C13H17BN2O2
MolecularWeight:
244.09727999999996
MdlNumber:
MFCD16995906
Smiles:
CC1(C)OB(OC1(C)C)c1cccc2c1[nH]cn2
Complexity:
319
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
1
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Smiles: O=Cc1ccc(cc1N(C)C)B1OC(C(O1)(C)C)(C)C
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Smiles:
O=Cc1ccc(cc1N(C)C)B1OC(C(O1)(C)C)(C)C
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Smiles: O=C(OCC1c2ccccc2-c2c1cccc2)NCCOCCOCCOCCC(=O)ON1C(=O)CCC1=O
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Smiles:
O=C(OCC1c2ccccc2-c2c1cccc2)NCCOCCOCCOCCC(=O)ON1C(=O)CCC1=O
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Smiles: CC(=C)C(=O)OCCCC[C-]12C3=C4[Fe+2]5678923(C1=C45)[c-]1c6c8c9c71
Complexity: __
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
CC(=C)C(=O)OCCCC[C-]12C3=C4[Fe+2]5678923(C1=C45)[c-]1c6c8c9c71
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__