AA16270
116529-62-5 | 4-iodo-2-nitrobenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AA16270
ChemicalName
4-iodo-2-nitrobenzoic acid
CasNumber
116529-62-5
MolecularFormula
C7H4INO4
MolecularWeight
293.0154
MdlNumber
MFCD09909618
Smiles
Ic1ccc(c(c1)[N+](=O)[O-])C(=O)O
Complexity
227
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
2.1
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CatalogNumber: AA16270
ChemicalName: 4-iodo-2-nitrobenzoic acid
CasNumber: 116529-62-5
MolecularFormula: C7H4INO4
MolecularWeight: 293.0154
MdlNumber: MFCD09909618
Smiles: Ic1ccc(c(c1)[N+](=O)[O-])C(=O)O
Complexity: 227
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 2.1
CatalogNumber:
AA16270
ChemicalName:
4-iodo-2-nitrobenzoic acid
CasNumber:
116529-62-5
MolecularFormula:
C7H4INO4
MolecularWeight:
293.0154
MdlNumber:
MFCD09909618
Smiles:
Ic1ccc(c(c1)[N+](=O)[O-])C(=O)O
Complexity:
227
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
2.1
CatalogNumber: AA16271
ChemicalName: 3-Bromo-2-nitrobenzoic acid
CasNumber: 116529-61-4
MolecularFormula: C7H4BrNO4
MolecularWeight: 246.015
MdlNumber: MFCD10700064
Smiles: [O-][N+](=O)c1c(Br)cccc1C(=O)O
Complexity: 227
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 2
CatalogNumber:
AA16271
ChemicalName:
3-Bromo-2-nitrobenzoic acid
CasNumber:
116529-61-4
MolecularFormula:
C7H4BrNO4
MolecularWeight:
246.015
MdlNumber:
MFCD10700064
Smiles:
[O-][N+](=O)c1c(Br)cccc1C(=O)O
Complexity:
227
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
2
CatalogNumber: AA16272
ChemicalName: 2-Bromo-3,5-dinitrobenzoic acid
CasNumber: 116529-60-3
MolecularFormula: C7H3BrN2O6
MolecularWeight: 291.0125
MdlNumber: MFCD00458630
Smiles: [O-][N+](=O)c1cc(C(=O)O)c(c(c1)[N+](=O)[O-])Br
Complexity: 324
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 1.8
CatalogNumber:
AA16272
ChemicalName:
2-Bromo-3,5-dinitrobenzoic acid
CasNumber:
116529-60-3
MolecularFormula:
C7H3BrN2O6
MolecularWeight:
291.0125
MdlNumber:
MFCD00458630
Smiles:
[O-][N+](=O)c1cc(C(=O)O)c(c(c1)[N+](=O)[O-])Br
Complexity:
324
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
1.8
CatalogNumber: __
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MolecularFormula: __
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Smiles: ICc1ccc(cc1Cl)Cl
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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RotatableBondCount: __
Xlogp3: __
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ChemicalName:
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CasNumber:
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MolecularFormula:
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MdlNumber:
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Smiles:
ICc1ccc(cc1Cl)Cl
Complexity:
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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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