AF70451
42564-41-0 | 4-(Methylamino)-3-nitrobenzaldehyde
Manufacturer: A2B Chem
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CatalogNumber
AF70451
ChemicalName
4-(Methylamino)-3-nitrobenzaldehyde
CasNumber
42564-41-0
MolecularFormula
C8H8N2O3
MolecularWeight
180.1607
MdlNumber
MFCD03964545
Smiles
CNc1ccc(cc1[N+](=O)[O-])C=O
Complexity
202
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
1.8
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CatalogNumber: AF70451
ChemicalName: 4-(Methylamino)-3-nitrobenzaldehyde
CasNumber: 42564-41-0
MolecularFormula: C8H8N2O3
MolecularWeight: 180.1607
MdlNumber: MFCD03964545
Smiles: CNc1ccc(cc1[N+](=O)[O-])C=O
Complexity: 202
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 1.8
CatalogNumber:
AF70451
ChemicalName:
4-(Methylamino)-3-nitrobenzaldehyde
CasNumber:
42564-41-0
MolecularFormula:
C8H8N2O3
MolecularWeight:
180.1607
MdlNumber:
MFCD03964545
Smiles:
CNc1ccc(cc1[N+](=O)[O-])C=O
Complexity:
202
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
1.8
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Smiles: O/C=C(/c1cccc(c1[N+](=O)[O-])C(=O)O)C=O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
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MdlNumber:
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Smiles:
O/C=C(/c1cccc(c1[N+](=O)[O-])C(=O)O)C=O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: NOCc1cccc(c1)OC.Cl
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
NOCc1cccc(c1)OC.Cl
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
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ChemicalName: __
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Smiles: O=CCC(C(C(COP(=O)(O)O)O)O)O.[Na]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=CCC(C(C(COP(=O)(O)O)O)O)O.[Na]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__