AA90106
16789-84-7 | 3-Bromo-2-hydroxy-5-nitrobenzaldehyde
Manufacturer: A2B Chem
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CatalogNumber
AA90106
ChemicalName
3-Bromo-2-hydroxy-5-nitrobenzaldehyde
CasNumber
16789-84-7
MolecularFormula
C7H4BrNO4
MolecularWeight
246.015
MdlNumber
MFCD00051833
Smiles
O=Cc1cc(cc(c1O)Br)[N+](=O)[O-]
Complexity
217
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
2.9
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CatalogNumber: AA90106
ChemicalName: 3-Bromo-2-hydroxy-5-nitrobenzaldehyde
CasNumber: 16789-84-7
MolecularFormula: C7H4BrNO4
MolecularWeight: 246.015
MdlNumber: MFCD00051833
Smiles: O=Cc1cc(cc(c1O)Br)[N+](=O)[O-]
Complexity: 217
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 2.9
CatalogNumber:
AA90106
ChemicalName:
3-Bromo-2-hydroxy-5-nitrobenzaldehyde
CasNumber:
16789-84-7
MolecularFormula:
C7H4BrNO4
MolecularWeight:
246.015
MdlNumber:
MFCD00051833
Smiles:
O=Cc1cc(cc(c1O)Br)[N+](=O)[O-]
Complexity:
217
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
2.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: [O-]P(=O)(O)[O-].[K+].[K+].O.O.O
Complexity: 46.5
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
[O-]P(=O)(O)[O-].[K+].[K+].O.O.O
Complexity:
46.5
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: [O-]S(=O)(=O)[O-].[Zn+2].O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
[O-]S(=O)(=O)[O-].[Zn+2].O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=c1[nH]c2c(n1CCN1CCN(CC1)c1cccc(c1)C(F)(F)F)cccc2
Complexity: 550
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 3.3
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=c1[nH]c2c(n1CCN1CCN(CC1)c1cccc(c1)C(F)(F)F)cccc2
Complexity:
550
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
3.3