AG28579
5568-33-2 | 2-Chloro-4-nitrobenzaldehyde
Manufacturer: A2B Chem
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CatalogNumber
AG28579
ChemicalName
2-Chloro-4-nitrobenzaldehyde
CasNumber
5568-33-2
MolecularFormula
C7H4ClNO3
MolecularWeight
185.5646
MdlNumber
MFCD09842446
Smiles
O=Cc1ccc(cc1Cl)[N+](=O)[O-]
NscNumber
127469
Complexity
192
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
3
RotatableBondCount
1
Xlogp3
2
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CatalogNumber: AG28579
ChemicalName: 2-Chloro-4-nitrobenzaldehyde
CasNumber: 5568-33-2
MolecularFormula: C7H4ClNO3
MolecularWeight: 185.5646
MdlNumber: MFCD09842446
Smiles: O=Cc1ccc(cc1Cl)[N+](=O)[O-]
NscNumber: 127469
Complexity: 192
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
RotatableBondCount: 1
Xlogp3: 2
CatalogNumber:
AG28579
ChemicalName:
2-Chloro-4-nitrobenzaldehyde
CasNumber:
5568-33-2
MolecularFormula:
C7H4ClNO3
MolecularWeight:
185.5646
MdlNumber:
MFCD09842446
Smiles:
O=Cc1ccc(cc1Cl)[N+](=O)[O-]
NscNumber:
127469
Complexity:
192
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
RotatableBondCount:
1
Xlogp3:
2
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Smiles: C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3)C4=NN=C(O4)C5=C(C6=C(C=C5)C(=O)C7=CC=CC=C7C6=O)N)N
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Smiles:
C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3)C4=NN=C(O4)C5=C(C6=C(C=C5)C(=O)C7=CC=CC=C7C6=O)N)N
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Smiles: O=C(Nc1ccc(cc1)N)Nc1ccc(cc1)N
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Smiles:
O=C(Nc1ccc(cc1)N)Nc1ccc(cc1)N
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Smiles: Nc1cc(cc(c1)S(=O)(=O)O)S(=O)(=O)O
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Smiles:
Nc1cc(cc(c1)S(=O)(=O)O)S(=O)(=O)O
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
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Xlogp3:
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