AH54288
790230-04-5 | 4-Bromo-3-(hydroxymethyl)benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AH54288
ChemicalName
4-Bromo-3-(hydroxymethyl)benzoic acid
CasNumber
790230-04-5
MolecularFormula
C8H7BrO3
MolecularWeight
231.0434
MdlNumber
MFCD16249537
Smiles
OCc1cc(ccc1Br)C(=O)O
Complexity
172
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
2
RotatableBondCount
2
Xlogp3
1.3
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CatalogNumber: AH54288
ChemicalName: 4-Bromo-3-(hydroxymethyl)benzoic acid
CasNumber: 790230-04-5
MolecularFormula: C8H7BrO3
MolecularWeight: 231.0434
MdlNumber: MFCD16249537
Smiles: OCc1cc(ccc1Br)C(=O)O
Complexity: 172
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: 1.3
CatalogNumber:
AH54288
ChemicalName:
4-Bromo-3-(hydroxymethyl)benzoic acid
CasNumber:
790230-04-5
MolecularFormula:
C8H7BrO3
MolecularWeight:
231.0434
MdlNumber:
MFCD16249537
Smiles:
OCc1cc(ccc1Br)C(=O)O
Complexity:
172
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
1.3
CatalogNumber: __
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MolecularFormula: __
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Smiles: C=C/C(=C/C[C@H]1C(=C)CC[C@@H]2[C@]1(C)CCC[C@@]2(C)C(=O)O)/C
Complexity: __
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HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
C=C/C(=C/C[C@H]1C(=C)CC[C@@H]2[C@]1(C)CCC[C@@]2(C)C(=O)O)/C
Complexity:
__
Covalently-bondedUnitCount:
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RotatableBondCount:
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Smiles: COC1=CC23C(C1O)(O)c1cc4OCOc4cc1CCN3CCC2
Complexity: __
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MolecularFormula:
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Smiles:
COC1=CC23C(C1O)(O)c1cc4OCOc4cc1CCN3CCC2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: COc1cccc2c1CC(C2)C(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1cccc2c1CC(C2)C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__