AA69621
142166-01-6 | 3,4-Dihydro-2H-benzo[1,4]oxazine-7-carboxylic acid methyl ester
Manufacturer: A2B Chem
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CatalogNumber
AA69621
ChemicalName
3,4-Dihydro-2H-benzo[1,4]oxazine-7-carboxylic acid methyl ester
CasNumber
142166-01-6
MolecularFormula
C10H11NO3
MolecularWeight
193.1992
MdlNumber
MFCD11848180
Smiles
COC(=O)c1ccc2c(c1)OCCN2
Complexity
219
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
1.5
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CatalogNumber: AA69621
ChemicalName: 3,4-Dihydro-2H-benzo[1,4]oxazine-7-carboxylic acid methyl ester
CasNumber: 142166-01-6
MolecularFormula: C10H11NO3
MolecularWeight: 193.1992
MdlNumber: MFCD11848180
Smiles: COC(=O)c1ccc2c(c1)OCCN2
Complexity: 219
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 1.5
CatalogNumber:
AA69621
ChemicalName:
3,4-Dihydro-2H-benzo[1,4]oxazine-7-carboxylic acid methyl ester
CasNumber:
142166-01-6
MolecularFormula:
C10H11NO3
MolecularWeight:
193.1992
MdlNumber:
MFCD11848180
Smiles:
COC(=O)c1ccc2c(c1)OCCN2
Complexity:
219
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
1.5
CatalogNumber: AA69622
ChemicalName: Methyl 3-oxo-2,4-dihydro-1,4-benzoxazine-7-carboxylate
CasNumber: 142166-00-5
MolecularFormula: C10H9NO4
MolecularWeight: 207.1828
MdlNumber: MFCD07774184
Smiles: COC(=O)c1ccc2c(c1)OCC(=O)N2
Complexity: 279
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 0.7
CatalogNumber:
AA69622
ChemicalName:
Methyl 3-oxo-2,4-dihydro-1,4-benzoxazine-7-carboxylate
CasNumber:
142166-00-5
MolecularFormula:
C10H9NO4
MolecularWeight:
207.1828
MdlNumber:
MFCD07774184
Smiles:
COC(=O)c1ccc2c(c1)OCC(=O)N2
Complexity:
279
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
0.7
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Smiles: Cc1ncn(c1)c1ccc(cc1)C(=O)C
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Cc1ncn(c1)c1ccc(cc1)C(=O)C
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Smiles: [O-]C(=O)c1ccc(c(c1)Cl)F.[Na+]
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Smiles:
[O-]C(=O)c1ccc(c(c1)Cl)F.[Na+]
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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Xlogp3:
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