AX55085
2096342-16-2 | 5/18/2012
Manufacturer: A2B Chem
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CatalogNumber
AX55085
ChemicalName
5/18/2012
CasNumber
2096342-16-2
MolecularFormula
C14H21BN2O4
MolecularWeight
292.1385
MdlNumber
MFCD22205814
Smiles
CNCc1ccc(cc1B1OC(C(O1)(C)C)(C)C)[N+](=O)[O-]
Complexity
381
Covalently-bondedUnitCount
1
HeavyAtomCount
21
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
3
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CatalogNumber: AX55085
ChemicalName: 5/18/2012
CasNumber: 2096342-16-2
MolecularFormula: C14H21BN2O4
MolecularWeight: 292.1385
MdlNumber: MFCD22205814
Smiles: CNCc1ccc(cc1B1OC(C(O1)(C)C)(C)C)[N+](=O)[O-]
Complexity: 381
Covalently-bondedUnitCount: 1
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 3
CatalogNumber:
AX55085
ChemicalName:
5/18/2012
CasNumber:
2096342-16-2
MolecularFormula:
C14H21BN2O4
MolecularWeight:
292.1385
MdlNumber:
MFCD22205814
Smiles:
CNCc1ccc(cc1B1OC(C(O1)(C)C)(C)C)[N+](=O)[O-]
Complexity:
381
Covalently-bondedUnitCount:
1
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NC(=O)/C=C/c1ccc(nc1Cl)Cl
Complexity: 220
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NC(=O)/C=C/c1ccc(nc1Cl)Cl
Complexity:
220
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Brc1cc(cc(c1)C(=O)N)N1CCCC1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Brc1cc(cc(c1)C(=O)N)N1CCCC1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CN(C(=O)c1cc(Cl)ccc1Br)OC
Complexity: 215
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CN(C(=O)c1cc(Cl)ccc1Br)OC
Complexity:
215
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__