AI42622
1881320-48-4 | (4-Methoxyphenyl)methyl 1H-pyrrole-2-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AI42622
ChemicalName
(4-Methoxyphenyl)methyl 1H-pyrrole-2-carboxylate
CasNumber
1881320-48-4
MolecularFormula
C13H13NO3
MolecularWeight
231.2472
MdlNumber
MFCD29043334
Smiles
COc1ccc(cc1)COC(=O)c1ccc[nH]1
Complexity
249
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
5
Xlogp3
2.4
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CatalogNumber: AI42622
ChemicalName: (4-Methoxyphenyl)methyl 1H-pyrrole-2-carboxylate
CasNumber: 1881320-48-4
MolecularFormula: C13H13NO3
MolecularWeight: 231.2472
MdlNumber: MFCD29043334
Smiles: COc1ccc(cc1)COC(=O)c1ccc[nH]1
Complexity: 249
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 5
Xlogp3: 2.4
CatalogNumber:
AI42622
ChemicalName:
(4-Methoxyphenyl)methyl 1H-pyrrole-2-carboxylate
CasNumber:
1881320-48-4
MolecularFormula:
C13H13NO3
MolecularWeight:
231.2472
MdlNumber:
MFCD29043334
Smiles:
COc1ccc(cc1)COC(=O)c1ccc[nH]1
Complexity:
249
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
5
Xlogp3:
2.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: N#CC1(CC1)c1cccc(c1F)O
Complexity: 253
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 1.7
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
N#CC1(CC1)c1cccc(c1F)O
Complexity:
253
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
1.7
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ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCCOC1=C(C=C(C=N1)C(F)(F)F)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
CCCOC1=C(C=C(C=N1)C(F)(F)F)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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ChemicalName: __
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MolecularFormula: __
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MdlNumber: __
Smiles: Clc1cc(cc(c1F)OCc1ccccc1)[N+](=O)[O-]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Clc1cc(cc(c1F)OCc1ccccc1)[N+](=O)[O-]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__