AF64748
220504-75-6 | 2,4-Dimethyl-5-nitrobenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AF64748
ChemicalName
2,4-Dimethyl-5-nitrobenzoic acid
CasNumber
220504-75-6
MolecularFormula
C9H9NO4
MolecularWeight
195.1721
MdlNumber
MFCD01463419
Smiles
[O-][N+](=O)c1cc(C(=O)O)c(cc1C)C
Complexity
248
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
2
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CatalogNumber: AF64748
ChemicalName: 2,4-Dimethyl-5-nitrobenzoic acid
CasNumber: 220504-75-6
MolecularFormula: C9H9NO4
MolecularWeight: 195.1721
MdlNumber: MFCD01463419
Smiles: [O-][N+](=O)c1cc(C(=O)O)c(cc1C)C
Complexity: 248
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 2
CatalogNumber:
AF64748
ChemicalName:
2,4-Dimethyl-5-nitrobenzoic acid
CasNumber:
220504-75-6
MolecularFormula:
C9H9NO4
MolecularWeight:
195.1721
MdlNumber:
MFCD01463419
Smiles:
[O-][N+](=O)c1cc(C(=O)O)c(cc1C)C
Complexity:
248
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
2
CatalogNumber: __
ChemicalName: __
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MolecularFormula: __
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Smiles: CNS(=O)(=O)c1ccc(c(c1)Cl)N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
CNS(=O)(=O)c1ccc(c(c1)Cl)N
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__