AI32044
1354756-15-2 | Methyl 7-chloro-1H-1,3-benzodiazole-5-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AI32044
ChemicalName
Methyl 7-chloro-1H-1,3-benzodiazole-5-carboxylate
CasNumber
1354756-15-2
MolecularFormula
C9H7ClN2O2
MolecularWeight
210.6171
MdlNumber
MFCD20501496
Smiles
COC(=O)c1cc(Cl)c2c(c1)nc[nH]2
Complexity
237
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
2
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CatalogNumber: AI32044
ChemicalName: Methyl 7-chloro-1H-1,3-benzodiazole-5-carboxylate
CasNumber: 1354756-15-2
MolecularFormula: C9H7ClN2O2
MolecularWeight: 210.6171
MdlNumber: MFCD20501496
Smiles: COC(=O)c1cc(Cl)c2c(c1)nc[nH]2
Complexity: 237
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2
CatalogNumber:
AI32044
ChemicalName:
Methyl 7-chloro-1H-1,3-benzodiazole-5-carboxylate
CasNumber:
1354756-15-2
MolecularFormula:
C9H7ClN2O2
MolecularWeight:
210.6171
MdlNumber:
MFCD20501496
Smiles:
COC(=O)c1cc(Cl)c2c(c1)nc[nH]2
Complexity:
237
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
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Smiles: Clc1ccc(cc1)c1nn2c(n1)[nH]c(=O)cc2N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
Clc1ccc(cc1)c1nn2c(n1)[nH]c(=O)cc2N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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MolecularFormula: __
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Smiles: COc1ccc(cc1)c1nn2c(n1)[nH]c(=O)cc2N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
COc1ccc(cc1)c1nn2c(n1)[nH]c(=O)cc2N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: Nc1ccc(c(c1)C(F)(F)F)n1cncc1.Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
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MdlNumber:
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Smiles:
Nc1ccc(c(c1)C(F)(F)F)n1cncc1.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__