AD58998
1221793-58-3 | N-BOC 4-iodo-3-methylaniline
Manufacturer: A2B Chem
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CatalogNumber
AD58998
ChemicalName
N-BOC 4-iodo-3-methylaniline
CasNumber
1221793-58-3
MolecularFormula
C12H16INO2
MolecularWeight
333.1654
MdlNumber
MFCD11973829
Smiles
O=C(OC(C)(C)C)Nc1ccc(c(c1)C)I
Complexity
250
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
3.5
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CatalogNumber: AD58998
ChemicalName: N-BOC 4-iodo-3-methylaniline
CasNumber: 1221793-58-3
MolecularFormula: C12H16INO2
MolecularWeight: 333.1654
MdlNumber: MFCD11973829
Smiles: O=C(OC(C)(C)C)Nc1ccc(c(c1)C)I
Complexity: 250
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 3.5
CatalogNumber:
AD58998
ChemicalName:
N-BOC 4-iodo-3-methylaniline
CasNumber:
1221793-58-3
MolecularFormula:
C12H16INO2
MolecularWeight:
333.1654
MdlNumber:
MFCD11973829
Smiles:
O=C(OC(C)(C)C)Nc1ccc(c(c1)C)I
Complexity:
250
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
3.5
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Smiles: FC(C(C(CCC(F)(F)F)(F)F)(F)F)([Si](C(C(C(CCC(F)(F)F)(F)F)(F)F)(F)F)(O[Si](C)(C)C)C)F
Complexity: __
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Smiles:
FC(C(C(CCC(F)(F)F)(F)F)(F)F)([Si](C(C(C(CCC(F)(F)F)(F)F)(F)F)(F)F)(O[Si](C)(C)C)C)F
Complexity:
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RotatableBondCount:
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Xlogp3:
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Smiles: COc1cc([N+](=O)[O-])c(c(c1)C(=O)OC)OCc1ccccc1
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Smiles:
COc1cc([N+](=O)[O-])c(c(c1)C(=O)OC)OCc1ccccc1
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: C/C(=C(\C(=O)O)/C)/C(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
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ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
C/C(=C(\C(=O)O)/C)/C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__