AC60880
76477-26-4 | 2-(N-BOC-Amino)acetophenone
Manufacturer: A2B Chem
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CatalogNumber
AC60880
ChemicalName
2-(N-BOC-Amino)acetophenone
CasNumber
76477-26-4
MolecularFormula
C13H17NO3
MolecularWeight
235.279
MdlNumber
MFCD08692497
Smiles
O=C(c1ccccc1)CNC(=O)OC(C)(C)C
Complexity
275
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
5
Xlogp3
3.2
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CatalogNumber: AC60880
ChemicalName: 2-(N-BOC-Amino)acetophenone
CasNumber: 76477-26-4
MolecularFormula: C13H17NO3
MolecularWeight: 235.279
MdlNumber: MFCD08692497
Smiles: O=C(c1ccccc1)CNC(=O)OC(C)(C)C
Complexity: 275
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 5
Xlogp3: 3.2
CatalogNumber:
AC60880
ChemicalName:
2-(N-BOC-Amino)acetophenone
CasNumber:
76477-26-4
MolecularFormula:
C13H17NO3
MolecularWeight:
235.279
MdlNumber:
MFCD08692497
Smiles:
O=C(c1ccccc1)CNC(=O)OC(C)(C)C
Complexity:
275
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
5
Xlogp3:
3.2
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MolecularFormula: __
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Smiles: O=C1c2ccccc2C(=O)C1(Br)c1ccc(cc1)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
O=C1c2ccccc2C(=O)C1(Br)c1ccc(cc1)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
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HydrogenBondAcceptorCount:
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Smiles: Cc1cccc(c1)C1(Br)C(=O)c2c(C1=O)cccc2
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Smiles:
Cc1cccc(c1)C1(Br)C(=O)c2c(C1=O)cccc2
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RotatableBondCount:
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Smiles: N#CC(=C(C(F)(F)F)Cl)C#N
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ChemicalName:
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Smiles:
N#CC(=C(C(F)(F)F)Cl)C#N
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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