AD00994
693257-19-1 | 2-(Benzyloxy)-4-bromobenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AD00994
ChemicalName
2-(Benzyloxy)-4-bromobenzoic acid
CasNumber
693257-19-1
MolecularFormula
C14H11BrO3
MolecularWeight
307.1393
MdlNumber
MFCD11551598
Smiles
Brc1ccc(c(c1)OCc1ccccc1)C(=O)O
Complexity
276
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
4
Xlogp3
3.6
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CatalogNumber: AD00994
ChemicalName: 2-(Benzyloxy)-4-bromobenzoic acid
CasNumber: 693257-19-1
MolecularFormula: C14H11BrO3
MolecularWeight: 307.1393
MdlNumber: MFCD11551598
Smiles: Brc1ccc(c(c1)OCc1ccccc1)C(=O)O
Complexity: 276
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 3.6
CatalogNumber:
AD00994
ChemicalName:
2-(Benzyloxy)-4-bromobenzoic acid
CasNumber:
693257-19-1
MolecularFormula:
C14H11BrO3
MolecularWeight:
307.1393
MdlNumber:
MFCD11551598
Smiles:
Brc1ccc(c(c1)OCc1ccccc1)C(=O)O
Complexity:
276
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
3.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOc1ccc(cc1)C(=S)N(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOc1ccc(cc1)C(=S)N(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AD00997
ChemicalName: 3-Oxabicyclo[3.1.0]hexane-6-carboxylic acid
CasNumber: 693248-53-2
MolecularFormula: C6H8O3
MolecularWeight: 128.1259
MdlNumber: MFCD13193581
Smiles: OC(=O)C1C2C1COC2
Complexity: 144
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: -0.3
CatalogNumber:
AD00997
ChemicalName:
3-Oxabicyclo[3.1.0]hexane-6-carboxylic acid
CasNumber:
693248-53-2
MolecularFormula:
C6H8O3
MolecularWeight:
128.1259
MdlNumber:
MFCD13193581
Smiles:
OC(=O)C1C2C1COC2
Complexity:
144
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
-0.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C[C@@H]1COCC[C@@H]1N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C[C@@H]1COCC[C@@H]1N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__