AI36630
1492899-94-1 | 4-(1H-Naphtho[1,8-de][1,3,2]diazaborinin-2(3h)-yl)phenol
Manufacturer: A2B Chem
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CatalogNumber
AI36630
ChemicalName
4-(1H-Naphtho[1,8-de][1,3,2]diazaborinin-2(3h)-yl)phenol
CasNumber
1492899-94-1
MolecularFormula
C16H13BN2O
MolecularWeight
260.0982
MdlNumber
MFCD27977420
Smiles
Oc1ccc(cc1)B1Nc2cccc3c2c(N1)ccc3
Complexity
325
Covalently-bondedUnitCount
1
HeavyAtomCount
20
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
3
RotatableBondCount
1
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CatalogNumber: AI36630
ChemicalName: 4-(1H-Naphtho[1,8-de][1,3,2]diazaborinin-2(3h)-yl)phenol
CasNumber: 1492899-94-1
MolecularFormula: C16H13BN2O
MolecularWeight: 260.0982
MdlNumber: MFCD27977420
Smiles: Oc1ccc(cc1)B1Nc2cccc3c2c(N1)ccc3
Complexity: 325
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 3
RotatableBondCount: 1
CatalogNumber:
AI36630
ChemicalName:
4-(1H-Naphtho[1,8-de][1,3,2]diazaborinin-2(3h)-yl)phenol
CasNumber:
1492899-94-1
MolecularFormula:
C16H13BN2O
MolecularWeight:
260.0982
MdlNumber:
MFCD27977420
Smiles:
Oc1ccc(cc1)B1Nc2cccc3c2c(N1)ccc3
Complexity:
325
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
3
RotatableBondCount:
1
CatalogNumber: AI36631
ChemicalName: 4-Methyl-1-(tetrahydro-2h-pyran-2-yl)-1h-pyrazole-5-boronic acid pinacol ester
CasNumber: 1492954-33-2
MolecularFormula: C15H25BN2O3
MolecularWeight: 292.1816
MdlNumber: MFCD09837627
Smiles: Cc1cnn(c1B1OC(C(O1)(C)C)(C)C)C1CCCCO1
Complexity: 375
Covalently-bondedUnitCount: 1
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: __
RotatableBondCount: 2
CatalogNumber:
AI36631
ChemicalName:
4-Methyl-1-(tetrahydro-2h-pyran-2-yl)-1h-pyrazole-5-boronic acid pinacol ester
CasNumber:
1492954-33-2
MolecularFormula:
C15H25BN2O3
MolecularWeight:
292.1816
MdlNumber:
MFCD09837627
Smiles:
Cc1cnn(c1B1OC(C(O1)(C)C)(C)C)C1CCCCO1
Complexity:
375
Covalently-bondedUnitCount:
1
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
__
RotatableBondCount:
2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OCCOCCOCC(=O)OC(C)(C)C
Complexity: 173
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OCCOCCOCC(=O)OC(C)(C)C
Complexity:
173
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C[C@@H]1CCC[C@@H](O)C=CC(=O)O[C@@]23[C@@H](/C=C/C1)[C@H](O)C(=C)[C@H]([C@H]3[C@@H](NC2=O)Cc1ccccc1)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C[C@@H]1CCC[C@@H](O)C=CC(=O)O[C@@]23[C@@H](/C=C/C1)[C@H](O)C(=C)[C@H]([C@H]3[C@@H](NC2=O)Cc1ccccc1)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__