AH21281
706820-79-3 | 3-Bromo-5-formyl-4-hydroxy-benzoic acid methyl ester
Manufacturer: A2B Chem
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CatalogNumber
AH21281
ChemicalName
3-Bromo-5-formyl-4-hydroxy-benzoic acid methyl ester
CasNumber
706820-79-3
MolecularFormula
C9H7BrO4
MolecularWeight
259.0535
MdlNumber
MFCD22565644
Smiles
COC(=O)c1cc(C=O)c(c(c1)Br)O
Complexity
231
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
2.1
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CatalogNumber: AH21281
ChemicalName: 3-Bromo-5-formyl-4-hydroxy-benzoic acid methyl ester
CasNumber: 706820-79-3
MolecularFormula: C9H7BrO4
MolecularWeight: 259.0535
MdlNumber: MFCD22565644
Smiles: COC(=O)c1cc(C=O)c(c(c1)Br)O
Complexity: 231
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 2.1
CatalogNumber:
AH21281
ChemicalName:
3-Bromo-5-formyl-4-hydroxy-benzoic acid methyl ester
CasNumber:
706820-79-3
MolecularFormula:
C9H7BrO4
MolecularWeight:
259.0535
MdlNumber:
MFCD22565644
Smiles:
COC(=O)c1cc(C=O)c(c(c1)Br)O
Complexity:
231
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
2.1
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MolecularFormula: __
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Smiles: CN(c1ccc(c(c1)[N+](=O)[O-])Br)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
CN(c1ccc(c(c1)[N+](=O)[O-])Br)C
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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Smiles: Oc1ccc(c(c1)I)N
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Smiles:
Oc1ccc(c(c1)I)N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
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HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: CNc1c(C)cccc1C.Cl
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
CNc1c(C)cccc1C.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__