AF87305
38941-98-9 | 4-(tert-Butyl)-2-iodophenol
Manufacturer: A2B Chem
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CatalogNumber
AF87305
ChemicalName
4-(tert-Butyl)-2-iodophenol
CasNumber
38941-98-9
MolecularFormula
C10H13IO
MolecularWeight
276.1141
MdlNumber
MFCD11035758
Smiles
Oc1ccc(cc1I)C(C)(C)C
Complexity
150
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
1
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
3.9
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CatalogNumber: AF87305
ChemicalName: 4-(tert-Butyl)-2-iodophenol
CasNumber: 38941-98-9
MolecularFormula: C10H13IO
MolecularWeight: 276.1141
MdlNumber: MFCD11035758
Smiles: Oc1ccc(cc1I)C(C)(C)C
Complexity: 150
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 3.9
CatalogNumber:
AF87305
ChemicalName:
4-(tert-Butyl)-2-iodophenol
CasNumber:
38941-98-9
MolecularFormula:
C10H13IO
MolecularWeight:
276.1141
MdlNumber:
MFCD11035758
Smiles:
Oc1ccc(cc1I)C(C)(C)C
Complexity:
150
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
3.9
CatalogNumber: AF87306
ChemicalName: 6-Hydroxy-5-iodo-nicotinic acid
CasNumber: 365413-19-0
MolecularFormula: C6H4INO3
MolecularWeight: 265.00533
MdlNumber: MFCD24039043
Smiles: OC(=O)c1c[nH]c(=O)c(c1)I
Complexity: 280
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 1
Xlogp3: 0.1
CatalogNumber:
AF87306
ChemicalName:
6-Hydroxy-5-iodo-nicotinic acid
CasNumber:
365413-19-0
MolecularFormula:
C6H4INO3
MolecularWeight:
265.00533
MdlNumber:
MFCD24039043
Smiles:
OC(=O)c1c[nH]c(=O)c(c1)I
Complexity:
280
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
1
Xlogp3:
0.1
CatalogNumber: AF87307
ChemicalName: Methyl 5-chloro-6-oxo-1,6-dihydro-3-pyridinecarboxylate
CasNumber: 316166-47-9
MolecularFormula: C7H6ClNO3
MolecularWeight: 187.58044
MdlNumber: MFCD03844853
Smiles: COC(=O)c1c[nH]c(=O)c(c1)Cl
Complexity: 293
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 0.6
CatalogNumber:
AF87307
ChemicalName:
Methyl 5-chloro-6-oxo-1,6-dihydro-3-pyridinecarboxylate
CasNumber:
316166-47-9
MolecularFormula:
C7H6ClNO3
MolecularWeight:
187.58044
MdlNumber:
MFCD03844853
Smiles:
COC(=O)c1c[nH]c(=O)c(c1)Cl
Complexity:
293
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
0.6
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Smiles: COC(=O)c1cc(=O)c2c([nH]1)c(OC)ccc2
Complexity: __
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Smiles:
COC(=O)c1cc(=O)c2c([nH]1)c(OC)ccc2
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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