AD52548
143390-49-2 | (3-Iodo-phenyl)-carbamic acid tert-butyl ester
Manufacturer: A2B Chem
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CatalogNumber
AD52548
ChemicalName
(3-Iodo-phenyl)-carbamic acid tert-butyl ester
CasNumber
143390-49-2
MolecularFormula
C11H14INO2
MolecularWeight
319.1388
MdlNumber
MFCD08703142
Smiles
O=C(OC(C)(C)C)Nc1cccc(c1)I
Complexity
225
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
4.2
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CatalogNumber: AD52548
ChemicalName: (3-Iodo-phenyl)-carbamic acid tert-butyl ester
CasNumber: 143390-49-2
MolecularFormula: C11H14INO2
MolecularWeight: 319.1388
MdlNumber: MFCD08703142
Smiles: O=C(OC(C)(C)C)Nc1cccc(c1)I
Complexity: 225
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 4.2
CatalogNumber:
AD52548
ChemicalName:
(3-Iodo-phenyl)-carbamic acid tert-butyl ester
CasNumber:
143390-49-2
MolecularFormula:
C11H14INO2
MolecularWeight:
319.1388
MdlNumber:
MFCD08703142
Smiles:
O=C(OC(C)(C)C)Nc1cccc(c1)I
Complexity:
225
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
4.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Ic1ccc2-c3c(C(c2c1)(C)C)cccc3
Complexity: 271
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 5.1
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
Ic1ccc2-c3c(C(c2c1)(C)C)cccc3
Complexity:
271
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
5.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCCCCCCCC=CCCCCCCCC(=O)[O-].CCCCCCCCC=CCCCCCCCC(=O)[O-].[Ca+2]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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Xlogp3: __
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
CCCCCCCCC=CCCCCCCCC(=O)[O-].CCCCCCCCC=CCCCCCCCC(=O)[O-].[Ca+2]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
__
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ChemicalName: __
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MolecularFormula: __
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MdlNumber: __
Smiles: ClC(=C)CN=C=S
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
ClC(=C)CN=C=S
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__