AB94494
887351-09-9 | Methyl 1-cyclopropylbenzimidazole-5-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AB94494
ChemicalName
Methyl 1-cyclopropylbenzimidazole-5-carboxylate
CasNumber
887351-09-9
MolecularFormula
C12H12N2O2
MolecularWeight
216.2359
MdlNumber
MFCD08448288
Smiles
COC(=O)c1ccc2c(c1)ncn2C1CC1
Complexity
291
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
3
RotatableBondCount
3
Xlogp3
1.7
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CatalogNumber: AB94494
ChemicalName: Methyl 1-cyclopropylbenzimidazole-5-carboxylate
CasNumber: 887351-09-9
MolecularFormula: C12H12N2O2
MolecularWeight: 216.2359
MdlNumber: MFCD08448288
Smiles: COC(=O)c1ccc2c(c1)ncn2C1CC1
Complexity: 291
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 3
RotatableBondCount: 3
Xlogp3: 1.7
CatalogNumber:
AB94494
ChemicalName:
Methyl 1-cyclopropylbenzimidazole-5-carboxylate
CasNumber:
887351-09-9
MolecularFormula:
C12H12N2O2
MolecularWeight:
216.2359
MdlNumber:
MFCD08448288
Smiles:
COC(=O)c1ccc2c(c1)ncn2C1CC1
Complexity:
291
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
3
RotatableBondCount:
3
Xlogp3:
1.7
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Smiles: Clc1ccccc1C1CSCCN1
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
Clc1ccccc1C1CSCCN1
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: COc1ccc(cc1)CC1(CCCN(C1)C(=O)OC(C)(C)C)C(=O)O
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Smiles:
COc1ccc(cc1)CC1(CCCN(C1)C(=O)OC(C)(C)C)C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: COCOc1ccccc1N
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HydrogenBondAcceptorCount: __
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__
ChemicalName:
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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:
COCOc1ccccc1N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__