AB98088
886497-72-9 | N-BOC 2-fluoro-4-iodoaniline
Manufacturer: A2B Chem
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CatalogNumber
AB98088
ChemicalName
N-BOC 2-fluoro-4-iodoaniline
CasNumber
886497-72-9
MolecularFormula
C11H13FINO2
MolecularWeight
337.1293
MdlNumber
MFCD06797742
Smiles
O=C(OC(C)(C)C)Nc1ccc(cc1F)I
Complexity
255
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
3.2
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CatalogNumber: AB98088
ChemicalName: N-BOC 2-fluoro-4-iodoaniline
CasNumber: 886497-72-9
MolecularFormula: C11H13FINO2
MolecularWeight: 337.1293
MdlNumber: MFCD06797742
Smiles: O=C(OC(C)(C)C)Nc1ccc(cc1F)I
Complexity: 255
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 3.2
CatalogNumber:
AB98088
ChemicalName:
N-BOC 2-fluoro-4-iodoaniline
CasNumber:
886497-72-9
MolecularFormula:
C11H13FINO2
MolecularWeight:
337.1293
MdlNumber:
MFCD06797742
Smiles:
O=C(OC(C)(C)C)Nc1ccc(cc1F)I
Complexity:
255
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
3.2
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MolecularFormula: __
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Smiles: N[C@@H]1CCN(C[C@H]1C)Cc1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
N[C@@H]1CCN(C[C@H]1C)Cc1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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RotatableBondCount:
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__
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Smiles: NCC1CCN(CC1)Cc1ccccc1
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Smiles:
NCC1CCN(CC1)Cc1ccccc1
Complexity:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: [O-][N+](=O)c1cc(cc(c1Cl)[N+](=O)[O-])S(=O)(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
[O-][N+](=O)c1cc(cc(c1Cl)[N+](=O)[O-])S(=O)(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__