AA85252
163229-43-4 | tert-Butyl (2-cyanophenyl)carbamate
Manufacturer: A2B Chem
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CatalogNumber
AA85252
ChemicalName
tert-Butyl (2-cyanophenyl)carbamate
CasNumber
163229-43-4
MolecularFormula
C12H14N2O2
MolecularWeight
218.2518
MdlNumber
MFCD07776951
Smiles
N#Cc1ccccc1NC(=O)OC(C)(C)C
Complexity
298
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
2
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CatalogNumber: AA85252
ChemicalName: tert-Butyl (2-cyanophenyl)carbamate
CasNumber: 163229-43-4
MolecularFormula: C12H14N2O2
MolecularWeight: 218.2518
MdlNumber: MFCD07776951
Smiles: N#Cc1ccccc1NC(=O)OC(C)(C)C
Complexity: 298
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 2
CatalogNumber:
AA85252
ChemicalName:
tert-Butyl (2-cyanophenyl)carbamate
CasNumber:
163229-43-4
MolecularFormula:
C12H14N2O2
MolecularWeight:
218.2518
MdlNumber:
MFCD07776951
Smiles:
N#Cc1ccccc1NC(=O)OC(C)(C)C
Complexity:
298
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
2
CatalogNumber: __
ChemicalName: __
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MolecularFormula: __
MolecularWeight: __
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Smiles: OC(=O)C=Cc1ccc(cc1)C=CC(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
OC(=O)C=Cc1ccc(cc1)C=CC(=O)O
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: CCOC(=O)[C@](Cc1ccc(cc1)O)(N)C
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Smiles:
CCOC(=O)[C@](Cc1ccc(cc1)O)(N)C
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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Smiles: COc1ccc(cc1)c1cc(Cl)nc(n1)Cl
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
COc1ccc(cc1)c1cc(Cl)nc(n1)Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__