AI29262
1301214-59-4 | Methyl 7-chloro-2-oxo-1,3-dihydro-1,3-benzodiazole-5-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AI29262
ChemicalName
Methyl 7-chloro-2-oxo-1,3-dihydro-1,3-benzodiazole-5-carboxylate
CasNumber
1301214-59-4
MolecularFormula
C9H7ClN2O3
MolecularWeight
226.6165
MdlNumber
MFCD22561313
Smiles
COC(=O)c1cc(Cl)c2c(c1)[nH]c(=O)[nH]2
Complexity
297
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
2
RotatableBondCount
2
Xlogp3
1
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CatalogNumber: AI29262
ChemicalName: Methyl 7-chloro-2-oxo-1,3-dihydro-1,3-benzodiazole-5-carboxylate
CasNumber: 1301214-59-4
MolecularFormula: C9H7ClN2O3
MolecularWeight: 226.6165
MdlNumber: MFCD22561313
Smiles: COC(=O)c1cc(Cl)c2c(c1)[nH]c(=O)[nH]2
Complexity: 297
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: 1
CatalogNumber:
AI29262
ChemicalName:
Methyl 7-chloro-2-oxo-1,3-dihydro-1,3-benzodiazole-5-carboxylate
CasNumber:
1301214-59-4
MolecularFormula:
C9H7ClN2O3
MolecularWeight:
226.6165
MdlNumber:
MFCD22561313
Smiles:
COC(=O)c1cc(Cl)c2c(c1)[nH]c(=O)[nH]2
Complexity:
297
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(c1ccc(cn1)[N+](=O)[O-])N1CCCCC1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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Smiles:
O=C(c1ccc(cn1)[N+](=O)[O-])N1CCCCC1
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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__
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ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Nc1ccc(nc1)C(=O)N1CCCCC1
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
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Xlogp3: __
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MolecularFormula:
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Smiles:
Nc1ccc(nc1)C(=O)N1CCCCC1
Complexity:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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CatalogNumber: AI29265
ChemicalName: Methyl 7-bromo-2-oxo-1,3-dihydro-1,3-benzodiazole-5-carboxylate
CasNumber: 1301214-77-6
MolecularFormula: C9H7BrN2O3
MolecularWeight: 271.0675
MdlNumber: MFCD22562194
Smiles: COC(=O)c1cc(Br)c2c(c1)[nH]c(=O)[nH]2
Complexity: 297
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: 1.1
CatalogNumber:
AI29265
ChemicalName:
Methyl 7-bromo-2-oxo-1,3-dihydro-1,3-benzodiazole-5-carboxylate
CasNumber:
1301214-77-6
MolecularFormula:
C9H7BrN2O3
MolecularWeight:
271.0675
MdlNumber:
MFCD22562194
Smiles:
COC(=O)c1cc(Br)c2c(c1)[nH]c(=O)[nH]2
Complexity:
297
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
1.1