AE62219
1414029-22-3 | Methyl 1-cyclopropyl-2-methyl-1,3-benzodiazole-5-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AE62219
ChemicalName
Methyl 1-cyclopropyl-2-methyl-1,3-benzodiazole-5-carboxylate
CasNumber
1414029-22-3
MolecularFormula
C13H14N2O2
MolecularWeight
230.2625
MdlNumber
MFCD22574967
Smiles
COC(=O)c1ccc2c(c1)nc(n2C1CC1)C
Complexity
317
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
3
RotatableBondCount
3
Xlogp3
2.1
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CatalogNumber: AE62219
ChemicalName: Methyl 1-cyclopropyl-2-methyl-1,3-benzodiazole-5-carboxylate
CasNumber: 1414029-22-3
MolecularFormula: C13H14N2O2
MolecularWeight: 230.2625
MdlNumber: MFCD22574967
Smiles: COC(=O)c1ccc2c(c1)nc(n2C1CC1)C
Complexity: 317
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 3
RotatableBondCount: 3
Xlogp3: 2.1
CatalogNumber:
AE62219
ChemicalName:
Methyl 1-cyclopropyl-2-methyl-1,3-benzodiazole-5-carboxylate
CasNumber:
1414029-22-3
MolecularFormula:
C13H14N2O2
MolecularWeight:
230.2625
MdlNumber:
MFCD22574967
Smiles:
COC(=O)c1ccc2c(c1)nc(n2C1CC1)C
Complexity:
317
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
3
RotatableBondCount:
3
Xlogp3:
2.1
CatalogNumber: AE62220
ChemicalName: 2-(4-Methoxyphenyl)-6-methylbenzoic acid
CasNumber: 1261902-83-3
MolecularFormula: C15H14O3
MolecularWeight: 242.2699
MdlNumber: MFCD18319515
Smiles: COc1ccc(cc1)c1cccc(c1C(=O)O)C
Complexity: 282
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 3
RotatableBondCount: 3
Xlogp3: 3.4
CatalogNumber:
AE62220
ChemicalName:
2-(4-Methoxyphenyl)-6-methylbenzoic acid
CasNumber:
1261902-83-3
MolecularFormula:
C15H14O3
MolecularWeight:
242.2699
MdlNumber:
MFCD18319515
Smiles:
COc1ccc(cc1)c1cccc(c1C(=O)O)C
Complexity:
282
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
3
RotatableBondCount:
3
Xlogp3:
3.4
CatalogNumber: AE62221
ChemicalName: Methyl 5-[4-(benzyloxy)phenyl]pyridine-2-carboxylate
CasNumber: 1403483-80-6
MolecularFormula: C20H17NO3
MolecularWeight: 319.3539
MdlNumber: MFCD22549331
Smiles: COC(=O)c1ccc(cn1)c1ccc(cc1)OCc1ccccc1
Complexity: 386
Covalently-bondedUnitCount: 1
HeavyAtomCount: 24
HydrogenBondAcceptorCount: 4
RotatableBondCount: 6
Xlogp3: 4.1
CatalogNumber:
AE62221
ChemicalName:
Methyl 5-[4-(benzyloxy)phenyl]pyridine-2-carboxylate
CasNumber:
1403483-80-6
MolecularFormula:
C20H17NO3
MolecularWeight:
319.3539
MdlNumber:
MFCD22549331
Smiles:
COC(=O)c1ccc(cn1)c1ccc(cc1)OCc1ccccc1
Complexity:
386
Covalently-bondedUnitCount:
1
HeavyAtomCount:
24
HydrogenBondAcceptorCount:
4
RotatableBondCount:
6
Xlogp3:
4.1
CatalogNumber: AE62222
ChemicalName: Methyl 3-[3-(benzyloxy)phenyl]-4-fluorobenzoate
CasNumber: 1393441-85-4
MolecularFormula: C21H17FO3
MolecularWeight: 336.3563
MdlNumber: MFCD22383722
Smiles: COC(=O)c1ccc(c(c1)c1cccc(c1)OCc1ccccc1)F
Complexity: 421
Covalently-bondedUnitCount: 1
HeavyAtomCount: 25
HydrogenBondAcceptorCount: 4
RotatableBondCount: 6
Xlogp3: 5
CatalogNumber:
AE62222
ChemicalName:
Methyl 3-[3-(benzyloxy)phenyl]-4-fluorobenzoate
CasNumber:
1393441-85-4
MolecularFormula:
C21H17FO3
MolecularWeight:
336.3563
MdlNumber:
MFCD22383722
Smiles:
COC(=O)c1ccc(c(c1)c1cccc(c1)OCc1ccccc1)F
Complexity:
421
Covalently-bondedUnitCount:
1
HeavyAtomCount:
25
HydrogenBondAcceptorCount:
4
RotatableBondCount:
6
Xlogp3:
5