AB25979
2476-35-9 | 5-Bromo-2-methoxybenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AB25979
ChemicalName
5-Bromo-2-methoxybenzoic acid
CasNumber
2476-35-9
MolecularFormula
C8H7BrO3
MolecularWeight
231.0434
MdlNumber
MFCD00093713
Smiles
COc1ccc(cc1C(=O)O)Br
Complexity
172
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
3
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CatalogNumber: AB25979
ChemicalName: 5-Bromo-2-methoxybenzoic acid
CasNumber: 2476-35-9
MolecularFormula: C8H7BrO3
MolecularWeight: 231.0434
MdlNumber: MFCD00093713
Smiles: COc1ccc(cc1C(=O)O)Br
Complexity: 172
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 3
CatalogNumber:
AB25979
ChemicalName:
5-Bromo-2-methoxybenzoic acid
CasNumber:
2476-35-9
MolecularFormula:
C8H7BrO3
MolecularWeight:
231.0434
MdlNumber:
MFCD00093713
Smiles:
COc1ccc(cc1C(=O)O)Br
Complexity:
172
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
3
CatalogNumber: AB25980
ChemicalName: 1-(4-Amino-2-hydroxyphenyl)ethan-1-one
CasNumber: 2476-29-1
MolecularFormula: C8H9NO2
MolecularWeight: 151.16256
MdlNumber: MFCD00100636
Smiles: Nc1ccc(c(c1)O)C(=O)C
Complexity: 158
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 1
Xlogp3: 1.3
CatalogNumber:
AB25980
ChemicalName:
1-(4-Amino-2-hydroxyphenyl)ethan-1-one
CasNumber:
2476-29-1
MolecularFormula:
C8H9NO2
MolecularWeight:
151.16256
MdlNumber:
MFCD00100636
Smiles:
Nc1ccc(c(c1)O)C(=O)C
Complexity:
158
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
1
Xlogp3:
1.3
CatalogNumber: __
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MolecularFormula: __
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Smiles: CCCCC(CCCC)(CO)CO
Complexity: __
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Smiles:
CCCCC(CCCC)(CO)CO
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RotatableBondCount:
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Smiles: OCC(c1ccccc1)(CO)C
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Xlogp3: __
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Smiles:
OCC(c1ccccc1)(CO)C
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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