AA79952
157942-12-6 | Methyl 3-hydroxy-4-iodobenzoate
Manufacturer: A2B Chem
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CatalogNumber
AA79952
ChemicalName
Methyl 3-hydroxy-4-iodobenzoate
CasNumber
157942-12-6
MolecularFormula
C8H7IO3
MolecularWeight
278.04385
MdlNumber
MFCD06203960
Smiles
COC(=O)c1ccc(c(c1)O)I
Complexity
172
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
2.1
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CatalogNumber: AA79952
ChemicalName: Methyl 3-hydroxy-4-iodobenzoate
CasNumber: 157942-12-6
MolecularFormula: C8H7IO3
MolecularWeight: 278.04385
MdlNumber: MFCD06203960
Smiles: COC(=O)c1ccc(c(c1)O)I
Complexity: 172
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.1
CatalogNumber:
AA79952
ChemicalName:
Methyl 3-hydroxy-4-iodobenzoate
CasNumber:
157942-12-6
MolecularFormula:
C8H7IO3
MolecularWeight:
278.04385
MdlNumber:
MFCD06203960
Smiles:
COC(=O)c1ccc(c(c1)O)I
Complexity:
172
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.1
CatalogNumber: __
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Smiles: O=C1OC(C)(C)OC(=O)C1=Cc1ccc(cc1)[N+](=O)[O-]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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MolecularWeight:
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MdlNumber:
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Smiles:
O=C1OC(C)(C)OC(=O)C1=Cc1ccc(cc1)[N+](=O)[O-]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Oc1cccc(c1)C=C1C(=O)OC(OC1=O)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
Oc1cccc(c1)C=C1C(=O)OC(OC1=O)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C1OC(C)(C)OC(=O)C1=Cc1ccc(cc1)N(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C1OC(C)(C)OC(=O)C1=Cc1ccc(cc1)N(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__