AI57565
860187-45-7 | Methyl 2-oxo-1,3-dihydrobenzimidazole-4-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AI57565
ChemicalName
Methyl 2-oxo-1,3-dihydrobenzimidazole-4-carboxylate
CasNumber
860187-45-7
MolecularFormula
C9H8N2O3
MolecularWeight
192.1714
MdlNumber
MFCD22562103
Smiles
COC(=O)c1cccc2c1[nH]c(=O)[nH]2
Complexity
267
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
2
RotatableBondCount
2
Xlogp3
0.4
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CatalogNumber: AI57565
ChemicalName: Methyl 2-oxo-1,3-dihydrobenzimidazole-4-carboxylate
CasNumber: 860187-45-7
MolecularFormula: C9H8N2O3
MolecularWeight: 192.1714
MdlNumber: MFCD22562103
Smiles: COC(=O)c1cccc2c1[nH]c(=O)[nH]2
Complexity: 267
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: 0.4
CatalogNumber:
AI57565
ChemicalName:
Methyl 2-oxo-1,3-dihydrobenzimidazole-4-carboxylate
CasNumber:
860187-45-7
MolecularFormula:
C9H8N2O3
MolecularWeight:
192.1714
MdlNumber:
MFCD22562103
Smiles:
COC(=O)c1cccc2c1[nH]c(=O)[nH]2
Complexity:
267
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
0.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
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Smiles: Clc1cc2ncnc(c2cc1C)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
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MolecularFormula:
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MolecularWeight:
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Smiles:
Clc1cc2ncnc(c2cc1C)O
Complexity:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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__
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MolecularFormula: __
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Smiles: Ic1cccc2c1c(O)ncn2
Complexity: __
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Xlogp3: __
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Smiles:
Ic1cccc2c1c(O)ncn2
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: Brc1cnc2c(c1)cc(cc2Cl)[N+](=O)[O-]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Brc1cnc2c(c1)cc(cc2Cl)[N+](=O)[O-]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__