AI50364
431052-32-3 | Methyl 5-(benzyloxy)-2-bromobenzoate
Manufacturer: A2B Chem
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CatalogNumber
AI50364
ChemicalName
Methyl 5-(benzyloxy)-2-bromobenzoate
CasNumber
431052-32-3
MolecularFormula
C15H13BrO3
MolecularWeight
321.1659
MdlNumber
MFCD21603891
Smiles
COC(=O)c1cc(OCc2ccccc2)ccc1Br
Complexity
289
Covalently-bondedUnitCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
3
RotatableBondCount
5
Xlogp3
3.9
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CatalogNumber: AI50364
ChemicalName: Methyl 5-(benzyloxy)-2-bromobenzoate
CasNumber: 431052-32-3
MolecularFormula: C15H13BrO3
MolecularWeight: 321.1659
MdlNumber: MFCD21603891
Smiles: COC(=O)c1cc(OCc2ccccc2)ccc1Br
Complexity: 289
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 3
RotatableBondCount: 5
Xlogp3: 3.9
CatalogNumber:
AI50364
ChemicalName:
Methyl 5-(benzyloxy)-2-bromobenzoate
CasNumber:
431052-32-3
MolecularFormula:
C15H13BrO3
MolecularWeight:
321.1659
MdlNumber:
MFCD21603891
Smiles:
COC(=O)c1cc(OCc2ccccc2)ccc1Br
Complexity:
289
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
3
RotatableBondCount:
5
Xlogp3:
3.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(NC1(CC1)[C@H]1CNCC1)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(NC1(CC1)[C@H]1CNCC1)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Cc1cc(O)cc(c1)C(=O)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Cc1cc(O)cc(c1)C(=O)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AI50367
ChemicalName: 4,6-Dimethyl-1H-indazole
CasNumber: 43120-31-6
MolecularFormula: C9H10N2
MolecularWeight: 146.1891
MdlNumber: MFCD07781501
Smiles: Cc1cc(C)c2c(c1)[nH]nc2
Complexity: 147
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 1
RotatableBondCount: __
Xlogp3: 2.3
CatalogNumber:
AI50367
ChemicalName:
4,6-Dimethyl-1H-indazole
CasNumber:
43120-31-6
MolecularFormula:
C9H10N2
MolecularWeight:
146.1891
MdlNumber:
MFCD07781501
Smiles:
Cc1cc(C)c2c(c1)[nH]nc2
Complexity:
147
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
1
RotatableBondCount:
__
Xlogp3:
2.3