AC86268
99548-53-5 | 3-Bromo-4-ethylbenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AC86268
ChemicalName
3-Bromo-4-ethylbenzoic acid
CasNumber
99548-53-5
MolecularFormula
C9H9BrO2
MolecularWeight
229.0706
MdlNumber
MFCD03819559
Smiles
CCc1ccc(cc1Br)C(=O)O
Complexity
170
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
2.9
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CatalogNumber: AC86268
ChemicalName: 3-Bromo-4-ethylbenzoic acid
CasNumber: 99548-53-5
MolecularFormula: C9H9BrO2
MolecularWeight: 229.0706
MdlNumber: MFCD03819559
Smiles: CCc1ccc(cc1Br)C(=O)O
Complexity: 170
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.9
CatalogNumber:
AC86268
ChemicalName:
3-Bromo-4-ethylbenzoic acid
CasNumber:
99548-53-5
MolecularFormula:
C9H9BrO2
MolecularWeight:
229.0706
MdlNumber:
MFCD03819559
Smiles:
CCc1ccc(cc1Br)C(=O)O
Complexity:
170
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.9
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Smiles: OCC(OC)(OC)C
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HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
OCC(OC)(OC)C
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RotatableBondCount:
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Smiles: OC(=O)c1cnc(c(c1)N)C
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Smiles:
OC(=O)c1cnc(c(c1)N)C
Complexity:
__
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: BrCCN1/C(=C/C(=O)OCC)/SCC1=O
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MolecularWeight:
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Smiles:
BrCCN1/C(=C/C(=O)OCC)/SCC1=O
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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