AA99422
17671-75-9 | 4-(Benzyloxy)-1-bromo-2-methylbenzene
Manufacturer: A2B Chem
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CatalogNumber
AA99422
ChemicalName
4-(Benzyloxy)-1-bromo-2-methylbenzene
CasNumber
17671-75-9
MolecularFormula
C14H13BrO
MolecularWeight
277.1564
MdlNumber
MFCD09909782
Smiles
Brc1ccc(cc1C)OCc1ccccc1
Complexity
201
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
1
RotatableBondCount
3
Xlogp3
4.4
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CatalogNumber: AA99422
ChemicalName: 4-(Benzyloxy)-1-bromo-2-methylbenzene
CasNumber: 17671-75-9
MolecularFormula: C14H13BrO
MolecularWeight: 277.1564
MdlNumber: MFCD09909782
Smiles: Brc1ccc(cc1C)OCc1ccccc1
Complexity: 201
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 1
RotatableBondCount: 3
Xlogp3: 4.4
CatalogNumber:
AA99422
ChemicalName:
4-(Benzyloxy)-1-bromo-2-methylbenzene
CasNumber:
17671-75-9
MolecularFormula:
C14H13BrO
MolecularWeight:
277.1564
MdlNumber:
MFCD09909782
Smiles:
Brc1ccc(cc1C)OCc1ccccc1
Complexity:
201
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
1
RotatableBondCount:
3
Xlogp3:
4.4
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MolecularFormula: __
MolecularWeight: __
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Smiles: [O-]C(=O)CC(C(=O)O)(CC(=O)O)O.OC(=O)C[N+](C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
[O-]C(=O)CC(C(=O)O)(CC(=O)O)O.OC(=O)C[N+](C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: OC(=O)CCC(CCC(=O)O)(CCC(=O)O)N
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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Smiles:
OC(=O)CCC(CCC(=O)O)(CCC(=O)O)N
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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RotatableBondCount:
__
Xlogp3:
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Smiles: [O-]C(=O)CN(CC(=O)[O-])CCN(CC(=O)O)CC(=O)O.[Na+].[Na+].[Zn]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
[O-]C(=O)CN(CC(=O)[O-])CCN(CC(=O)O)CC(=O)O.[Na+].[Na+].[Zn]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__