AB22869
23351-91-9 | 5-Bromoisophthalic acid
Manufacturer: A2B Chem
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CatalogNumber
AB22869
ChemicalName
5-Bromoisophthalic acid
CasNumber
23351-91-9
MolecularFormula
C8H5BrO4
MolecularWeight
245.0269
MdlNumber
MFCD00152019
Smiles
Brc1cc(cc(c1)C(=O)O)C(=O)O
Complexity
206
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
RotatableBondCount
2
Xlogp3
1.7
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CatalogNumber: AB22869
ChemicalName: 5-Bromoisophthalic acid
CasNumber: 23351-91-9
MolecularFormula: C8H5BrO4
MolecularWeight: 245.0269
MdlNumber: MFCD00152019
Smiles: Brc1cc(cc(c1)C(=O)O)C(=O)O
Complexity: 206
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: 1.7
CatalogNumber:
AB22869
ChemicalName:
5-Bromoisophthalic acid
CasNumber:
23351-91-9
MolecularFormula:
C8H5BrO4
MolecularWeight:
245.0269
MdlNumber:
MFCD00152019
Smiles:
Brc1cc(cc(c1)C(=O)O)C(=O)O
Complexity:
206
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
1.7
CatalogNumber: __
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MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC[C@H]([C@H]([C@@H]([C@H](C(C(=O)O)O)O)O)O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
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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:
OC[C@H]([C@H]([C@@H]([C@H](C(C(=O)O)O)O)O)O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
__
RotatableBondCount:
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Xlogp3:
__
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ChemicalName: __
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MolecularFormula: __
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Smiles: Oc1ccc(cc1)n1cccc1
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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ChemicalName:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
Oc1ccc(cc1)n1cccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)[C@H](Cc1cc(O)c(cc1O)O)N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)[C@H](Cc1cc(O)c(cc1O)O)N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__