AF59931
387-48-4 | 3-Fluoro-2-iodobenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AF59931
ChemicalName
3-Fluoro-2-iodobenzoic acid
CasNumber
387-48-4
MolecularFormula
C7H4FIO2
MolecularWeight
266.0083
MdlNumber
MFCD07774249
Smiles
OC(=O)c1cccc(c1I)F
Complexity
163
Covalently-bondedUnitCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
2.2
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CatalogNumber: AF59931
ChemicalName: 3-Fluoro-2-iodobenzoic acid
CasNumber: 387-48-4
MolecularFormula: C7H4FIO2
MolecularWeight: 266.0083
MdlNumber: MFCD07774249
Smiles: OC(=O)c1cccc(c1I)F
Complexity: 163
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 2.2
CatalogNumber:
AF59931
ChemicalName:
3-Fluoro-2-iodobenzoic acid
CasNumber:
387-48-4
MolecularFormula:
C7H4FIO2
MolecularWeight:
266.0083
MdlNumber:
MFCD07774249
Smiles:
OC(=O)c1cccc(c1I)F
Complexity:
163
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
2.2
CatalogNumber: __
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MolecularFormula: __
MolecularWeight: __
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Smiles: CC(=O)NC1=CC(=C(C=C1N=NC2=C(C=C(C=C2Cl)[N+](=O)[O-])[N+](=O)[O-])OC)N(CCOC(=O)C)CCOC(=O)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
CC(=O)NC1=CC(=C(C=C1N=NC2=C(C=C(C=C2Cl)[N+](=O)[O-])[N+](=O)[O-])OC)N(CCOC(=O)C)CCOC(=O)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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MolecularFormula: __
MolecularWeight: __
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Smiles: CC(=O)Nc1cc([N+](=O)[O-])c(cc1C(=O)O)C(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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Smiles:
CC(=O)Nc1cc([N+](=O)[O-])c(cc1C(=O)O)C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
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HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
__
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Smiles: Brc1ncccc1c1ccccc1
Complexity: __
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HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
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ChemicalName:
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MolecularFormula:
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MolecularWeight:
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Smiles:
Brc1ncccc1c1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__