AB52998
944994-03-0 | 1-(Methylsulfonyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1h-pyrazole
Manufacturer: A2B Chem
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CatalogNumber
AB52998
ChemicalName
1-(Methylsulfonyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1h-pyrazole
CasNumber
944994-03-0
MolecularFormula
C10H17BN2O4S
MolecularWeight
272.129
MdlNumber
MFCD18383275
Smiles
CC1(C)OB(OC1(C)C)c1cnn(c1)S(=O)(=O)C
Complexity
416
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
5
RotatableBondCount
2
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CatalogNumber: AB52998
ChemicalName: 1-(Methylsulfonyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1h-pyrazole
CasNumber: 944994-03-0
MolecularFormula: C10H17BN2O4S
MolecularWeight: 272.129
MdlNumber: MFCD18383275
Smiles: CC1(C)OB(OC1(C)C)c1cnn(c1)S(=O)(=O)C
Complexity: 416
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 5
RotatableBondCount: 2
CatalogNumber:
AB52998
ChemicalName:
1-(Methylsulfonyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1h-pyrazole
CasNumber:
944994-03-0
MolecularFormula:
C10H17BN2O4S
MolecularWeight:
272.129
MdlNumber:
MFCD18383275
Smiles:
CC1(C)OB(OC1(C)C)c1cnn(c1)S(=O)(=O)C
Complexity:
416
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
5
RotatableBondCount:
2
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Smiles: O=C(N1CC(C1)Cn1ncc(c1)B1OC(C(O1)(C)C)(C)C)OC(C)(C)C
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Smiles:
O=C(N1CC(C1)Cn1ncc(c1)B1OC(C(O1)(C)C)(C)C)OC(C)(C)C
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Smiles: Clc1nc2c(s1)c(O)ccc2
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Clc1nc2c(s1)c(O)ccc2
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Smiles: NCCCC[C@@H]1NC(=O)[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC1=O)[C@H](O)C)C(=O)N[C@@H]([C@H](O)C)CO)NC(=O)[C@@H](Cc1ccccc1)N)Cc1c[nH]c2c1cccc2
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Smiles:
NCCCC[C@@H]1NC(=O)[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC1=O)[C@H](O)C)C(=O)N[C@@H]([C@H](O)C)CO)NC(=O)[C@@H](Cc1ccccc1)N)Cc1c[nH]c2c1cccc2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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RotatableBondCount:
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