AI64334
954238-67-6 | tert-Butyl N-[3-(cyanomethyl)phenyl]carbamate
Manufacturer: A2B Chem
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CatalogNumber
AI64334
ChemicalName
tert-Butyl N-[3-(cyanomethyl)phenyl]carbamate
CasNumber
954238-67-6
MolecularFormula
C13H16N2O2
MolecularWeight
232.2783
MdlNumber
MFCD09701236
Smiles
N#CCc1cccc(c1)NC(=O)OC(C)(C)C
Complexity
311
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
4
Xlogp3
2.1
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CatalogNumber: AI64334
ChemicalName: tert-Butyl N-[3-(cyanomethyl)phenyl]carbamate
CasNumber: 954238-67-6
MolecularFormula: C13H16N2O2
MolecularWeight: 232.2783
MdlNumber: MFCD09701236
Smiles: N#CCc1cccc(c1)NC(=O)OC(C)(C)C
Complexity: 311
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 2.1
CatalogNumber:
AI64334
ChemicalName:
tert-Butyl N-[3-(cyanomethyl)phenyl]carbamate
CasNumber:
954238-67-6
MolecularFormula:
C13H16N2O2
MolecularWeight:
232.2783
MdlNumber:
MFCD09701236
Smiles:
N#CCc1cccc(c1)NC(=O)OC(C)(C)C
Complexity:
311
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
2.1
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Smiles: Ic1cccc(c1)CN(C(=O)OC(C)(C)C)C
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Smiles:
Ic1cccc(c1)CN(C(=O)OC(C)(C)C)C
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Smiles: O=C(Nc1cccc(c1N)F)OC(C)(C)C
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Smiles:
O=C(Nc1cccc(c1N)F)OC(C)(C)C
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HeavyAtomCount:
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HydrogenBondDonorCount:
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Smiles: COc1cccc(c1NC(=O)OC(C)(C)C)N
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
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CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
COc1cccc(c1NC(=O)OC(C)(C)C)N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__