AF58826
320590-29-2 | Benzyl (3-oxocyclohexyl)carbamate
Manufacturer: A2B Chem
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CatalogNumber
AF58826
ChemicalName
Benzyl (3-oxocyclohexyl)carbamate
CasNumber
320590-29-2
MolecularFormula
C14H17NO3
MolecularWeight
247.2897
MdlNumber
MFCD08061944
Smiles
O=C1CCCC(C1)NC(=O)OCc1ccccc1
Complexity
297
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
4
UndefinedAtomStereocenterCount
1
Xlogp3
1.7
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CatalogNumber: AF58826
ChemicalName: Benzyl (3-oxocyclohexyl)carbamate
CasNumber: 320590-29-2
MolecularFormula: C14H17NO3
MolecularWeight: 247.2897
MdlNumber: MFCD08061944
Smiles: O=C1CCCC(C1)NC(=O)OCc1ccccc1
Complexity: 297
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 4
UndefinedAtomStereocenterCount: 1
Xlogp3: 1.7
CatalogNumber:
AF58826
ChemicalName:
Benzyl (3-oxocyclohexyl)carbamate
CasNumber:
320590-29-2
MolecularFormula:
C14H17NO3
MolecularWeight:
247.2897
MdlNumber:
MFCD08061944
Smiles:
O=C1CCCC(C1)NC(=O)OCc1ccccc1
Complexity:
297
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
4
UndefinedAtomStereocenterCount:
1
Xlogp3:
1.7
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Smiles: [2H]C(n1cnc(c1)CCN)([2H])[2H].Cl.Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
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Smiles:
[2H]C(n1cnc(c1)CCN)([2H])[2H].Cl.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
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Smiles: Brc1cc2[nH]cc(c2c(c1)[N+](=O)[O-])C
Complexity: __
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Smiles:
Brc1cc2[nH]cc(c2c(c1)[N+](=O)[O-])C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
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Smiles: Fc1cc(Br)c2c(c1)C(=O)C(=O)N2
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Fc1cc(Br)c2c(c1)C(=O)C(=O)N2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__