AD58851
22244-22-0 | Ethyl 3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AD58851
ChemicalName
Ethyl 3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate
CasNumber
22244-22-0
MolecularFormula
C11H13NO3
MolecularWeight
207.2258
MdlNumber
MFCD01663859
Smiles
CCOC(=O)C1CNc2c(O1)cccc2
Complexity
232
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
3
UndefinedAtomStereocenterCount
1
Xlogp3
2
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CatalogNumber: AD58851
ChemicalName: Ethyl 3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate
CasNumber: 22244-22-0
MolecularFormula: C11H13NO3
MolecularWeight: 207.2258
MdlNumber: MFCD01663859
Smiles: CCOC(=O)C1CNc2c(O1)cccc2
Complexity: 232
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
UndefinedAtomStereocenterCount: 1
Xlogp3: 2
CatalogNumber:
AD58851
ChemicalName:
Ethyl 3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate
CasNumber:
22244-22-0
MolecularFormula:
C11H13NO3
MolecularWeight:
207.2258
MdlNumber:
MFCD01663859
Smiles:
CCOC(=O)C1CNc2c(O1)cccc2
Complexity:
232
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
1
Xlogp3:
2
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Smiles: Clc1cc(Cl)c(c(c1)S(=O)(=O)F)O
Complexity: __
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Smiles:
Clc1cc(Cl)c(c(c1)S(=O)(=O)F)O
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Smiles: [O-][Si]([O-])([O-])[O-].[O-][Si]([O-])([O-])[O-].[Mg+2].[Al+3].[Al+3]
Complexity: __
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Smiles:
[O-][Si]([O-])([O-])[O-].[O-][Si]([O-])([O-])[O-].[Mg+2].[Al+3].[Al+3]
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Smiles: COc1cccc(c1)NC(=O)c1cccc(c1)N
Complexity: __
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MolecularFormula:
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Smiles:
COc1cccc(c1)NC(=O)c1cccc(c1)N
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
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