AB58562
747413-21-4 | 4-(4-Methylpiperazin-1-yl)phenylboronic acid, pinacol ester
Manufacturer: A2B Chem
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CatalogNumber
AB58562
ChemicalName
4-(4-Methylpiperazin-1-yl)phenylboronic acid, pinacol ester
CasNumber
747413-21-4
MolecularFormula
C17H27BN2O2
MolecularWeight
302.2195
MdlNumber
MFCD06795650
Smiles
CN1CCN(CC1)c1ccc(cc1)B1OC(C(O1)(C)C)(C)C
Complexity
370
Covalently-bondedUnitCount
1
HeavyAtomCount
22
HydrogenBondAcceptorCount
4
RotatableBondCount
2
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CatalogNumber: AB58562
ChemicalName: 4-(4-Methylpiperazin-1-yl)phenylboronic acid, pinacol ester
CasNumber: 747413-21-4
MolecularFormula: C17H27BN2O2
MolecularWeight: 302.2195
MdlNumber: MFCD06795650
Smiles: CN1CCN(CC1)c1ccc(cc1)B1OC(C(O1)(C)C)(C)C
Complexity: 370
Covalently-bondedUnitCount: 1
HeavyAtomCount: 22
HydrogenBondAcceptorCount: 4
RotatableBondCount: 2
CatalogNumber:
AB58562
ChemicalName:
4-(4-Methylpiperazin-1-yl)phenylboronic acid, pinacol ester
CasNumber:
747413-21-4
MolecularFormula:
C17H27BN2O2
MolecularWeight:
302.2195
MdlNumber:
MFCD06795650
Smiles:
CN1CCN(CC1)c1ccc(cc1)B1OC(C(O1)(C)C)(C)C
Complexity:
370
Covalently-bondedUnitCount:
1
HeavyAtomCount:
22
HydrogenBondAcceptorCount:
4
RotatableBondCount:
2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: N#CC1(CCN(CC1)C)c1cccc(c1)OC
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
N#CC1(CCN(CC1)C)c1cccc(c1)OC
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
CatalogNumber: AB58564
ChemicalName: 4-Nitro-1-methylbenzimidazole
CasNumber: 31493-66-0
MolecularFormula: C8H7N3O2
MolecularWeight: 177.1601
MdlNumber: MFCD02181146
Smiles: [O-][N+](=O)c1cccc2c1ncn2C
Complexity: 216
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
RotatableBondCount: __
CatalogNumber:
AB58564
ChemicalName:
4-Nitro-1-methylbenzimidazole
CasNumber:
31493-66-0
MolecularFormula:
C8H7N3O2
MolecularWeight:
177.1601
MdlNumber:
MFCD02181146
Smiles:
[O-][N+](=O)c1cccc2c1ncn2C
Complexity:
216
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
RotatableBondCount:
__
CatalogNumber: AB58565
ChemicalName: 1-Methyl-4-nitro-1H-pyrazole
CasNumber: 3994-50-1
MolecularFormula: C4H5N3O2
MolecularWeight: 127.1014
MdlNumber: MFCD00464261
Smiles: Cn1ncc(c1)[N+](=O)[O-]
Complexity: 122
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 3
RotatableBondCount: __
CatalogNumber:
AB58565
ChemicalName:
1-Methyl-4-nitro-1H-pyrazole
CasNumber:
3994-50-1
MolecularFormula:
C4H5N3O2
MolecularWeight:
127.1014
MdlNumber:
MFCD00464261
Smiles:
Cn1ncc(c1)[N+](=O)[O-]
Complexity:
122
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
3
RotatableBondCount:
__