AD65722
17054-27-2 | 3-Benzyloxy-4-bromobenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AD65722
ChemicalName
3-Benzyloxy-4-bromobenzoic acid
CasNumber
17054-27-2
MolecularFormula
C14H11BrO3
MolecularWeight
307.1393
MdlNumber
MFCD08436069
Smiles
OC(=O)c1ccc(c(c1)OCc1ccccc1)Br
Complexity
276
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
4
Xlogp3
3.6
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CatalogNumber: AD65722
ChemicalName: 3-Benzyloxy-4-bromobenzoic acid
CasNumber: 17054-27-2
MolecularFormula: C14H11BrO3
MolecularWeight: 307.1393
MdlNumber: MFCD08436069
Smiles: OC(=O)c1ccc(c(c1)OCc1ccccc1)Br
Complexity: 276
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 3.6
CatalogNumber:
AD65722
ChemicalName:
3-Benzyloxy-4-bromobenzoic acid
CasNumber:
17054-27-2
MolecularFormula:
C14H11BrO3
MolecularWeight:
307.1393
MdlNumber:
MFCD08436069
Smiles:
OC(=O)c1ccc(c(c1)OCc1ccccc1)Br
Complexity:
276
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
3.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCC(=C(c1ccc(cc1)O)c1ccc(cc1)OCCN(C)C)c1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCC(=C(c1ccc(cc1)O)c1ccc(cc1)OCCN(C)C)c1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=Cc1cn(c2c1c(C)ccc2)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=Cc1cn(c2c1c(C)ccc2)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AD65734
ChemicalName: 4-Oxazolecarboxylic acid, methyl ester
CasNumber: 170487-38-4
MolecularFormula: C5H5NO3
MolecularWeight: 127.0981
MdlNumber: MFCD17170048
Smiles: COC(=O)c1cocn1
Complexity: 115
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: __
RotatableBondCount: 2
Xlogp3: 0.5
CatalogNumber:
AD65734
ChemicalName:
4-Oxazolecarboxylic acid, methyl ester
CasNumber:
170487-38-4
MolecularFormula:
C5H5NO3
MolecularWeight:
127.0981
MdlNumber:
MFCD17170048
Smiles:
COC(=O)c1cocn1
Complexity:
115
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
__
RotatableBondCount:
2
Xlogp3:
0.5