AI64092
952512-22-0 | Methyl 7-chloro-2-methyl-1H-1,3-benzodiazole-5-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AI64092
ChemicalName
Methyl 7-chloro-2-methyl-1H-1,3-benzodiazole-5-carboxylate
CasNumber
952512-22-0
MolecularFormula
C10H9ClN2O2
MolecularWeight
224.6437
MdlNumber
MFCD28166415
Smiles
COC(=O)c1cc(Cl)c2c(c1)nc([nH]2)C
Complexity
262
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
2.4
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CatalogNumber: AI64092
ChemicalName: Methyl 7-chloro-2-methyl-1H-1,3-benzodiazole-5-carboxylate
CasNumber: 952512-22-0
MolecularFormula: C10H9ClN2O2
MolecularWeight: 224.6437
MdlNumber: MFCD28166415
Smiles: COC(=O)c1cc(Cl)c2c(c1)nc([nH]2)C
Complexity: 262
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.4
CatalogNumber:
AI64092
ChemicalName:
Methyl 7-chloro-2-methyl-1H-1,3-benzodiazole-5-carboxylate
CasNumber:
952512-22-0
MolecularFormula:
C10H9ClN2O2
MolecularWeight:
224.6437
MdlNumber:
MFCD28166415
Smiles:
COC(=O)c1cc(Cl)c2c(c1)nc([nH]2)C
Complexity:
262
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.4
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Smiles: OB(c1ccc(cc1)c1nc2c(n1c1ccccc1)cccc2)O
Complexity: __
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Smiles:
OB(c1ccc(cc1)c1nc2c(n1c1ccccc1)cccc2)O
Complexity:
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HeavyAtomCount:
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Smiles: CC1(C)OB(OC1(C)C)c1cccc(c1)c1nc2c(n1c1ccccc1)cccc2
Complexity: __
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Smiles:
CC1(C)OB(OC1(C)C)c1cccc(c1)c1nc2c(n1c1ccccc1)cccc2
Complexity:
__
Covalently-bondedUnitCount:
__
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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MolecularFormula: __
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Smiles: OB(c1occ(c1)C(=O)O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OB(c1occ(c1)C(=O)O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__