AB20505
211029-67-3 | (3-Iodo-pyridin-4-yl)-carbamic acid tert-butyl ester
Manufacturer: A2B Chem
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CatalogNumber
AB20505
ChemicalName
(3-Iodo-pyridin-4-yl)-carbamic acid tert-butyl ester
CasNumber
211029-67-3
MolecularFormula
C10H13IN2O2
MolecularWeight
320.1269
MdlNumber
MFCD04973409
Smiles
O=C(OC(C)(C)C)Nc1ccncc1I
Complexity
228
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
2.1
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CatalogNumber: AB20505
ChemicalName: (3-Iodo-pyridin-4-yl)-carbamic acid tert-butyl ester
CasNumber: 211029-67-3
MolecularFormula: C10H13IN2O2
MolecularWeight: 320.1269
MdlNumber: MFCD04973409
Smiles: O=C(OC(C)(C)C)Nc1ccncc1I
Complexity: 228
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 2.1
CatalogNumber:
AB20505
ChemicalName:
(3-Iodo-pyridin-4-yl)-carbamic acid tert-butyl ester
CasNumber:
211029-67-3
MolecularFormula:
C10H13IN2O2
MolecularWeight:
320.1269
MdlNumber:
MFCD04973409
Smiles:
O=C(OC(C)(C)C)Nc1ccncc1I
Complexity:
228
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
2.1
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MolecularFormula: __
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Smiles: Clc1cc(Oc2ccc(cc2)[N+](=O)[O-])cc(c1)Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
Clc1cc(Oc2ccc(cc2)[N+](=O)[O-])cc(c1)Cl
Complexity:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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MolecularFormula: __
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Smiles: CC(=CCC[C@@]1(C)C=Cc2c(O1)c(C)cc1c2[nH]c2c1cccc2)C
Complexity: __
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Smiles:
CC(=CCC[C@@]1(C)C=Cc2c(O1)c(C)cc1c2[nH]c2c1cccc2)C
Complexity:
__
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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Smiles: NCCCCN1CCN(CC1)c1ccccc1OC
Complexity: __
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ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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Smiles:
NCCCCN1CCN(CC1)c1ccccc1OC
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
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Xlogp3:
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