AB67024
6968-28-1 | 4-Bromophthalic acid
Manufacturer: A2B Chem
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CatalogNumber
AB67024
ChemicalName
4-Bromophthalic acid
CasNumber
6968-28-1
MolecularFormula
C8H5BrO4
MolecularWeight
245.0269
MdlNumber
MFCD00043538
Smiles
Brc1ccc(c(c1)C(=O)O)C(=O)O
NscNumber
20682
Complexity
228
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
RotatableBondCount
2
Xlogp3
2.6
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CatalogNumber: AB67024
ChemicalName: 4-Bromophthalic acid
CasNumber: 6968-28-1
MolecularFormula: C8H5BrO4
MolecularWeight: 245.0269
MdlNumber: MFCD00043538
Smiles: Brc1ccc(c(c1)C(=O)O)C(=O)O
NscNumber: 20682
Complexity: 228
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: 2.6
CatalogNumber:
AB67024
ChemicalName:
4-Bromophthalic acid
CasNumber:
6968-28-1
MolecularFormula:
C8H5BrO4
MolecularWeight:
245.0269
MdlNumber:
MFCD00043538
Smiles:
Brc1ccc(c(c1)C(=O)O)C(=O)O
NscNumber:
20682
Complexity:
228
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
2.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Brc1ccc2c(c1)C(=O)NC2=O
NscNumber: __
Complexity: 241
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 1.8
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Brc1ccc2c(c1)C(=O)NC2=O
NscNumber:
__
Complexity:
241
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
1.8
CatalogNumber: AB67026
ChemicalName: 4-Bromoresorcinol
CasNumber: 6626-15-9
MolecularFormula: C6H5BrO2
MolecularWeight: 189.0067
MdlNumber: MFCD00002272
Smiles: Oc1ccc(c(c1)O)Br
NscNumber: 59699
Complexity: 97.1
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 2
RotatableBondCount: __
Xlogp3: 2.2
CatalogNumber:
AB67026
ChemicalName:
4-Bromoresorcinol
CasNumber:
6626-15-9
MolecularFormula:
C6H5BrO2
MolecularWeight:
189.0067
MdlNumber:
MFCD00002272
Smiles:
Oc1ccc(c(c1)O)Br
NscNumber:
59699
Complexity:
97.1
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
2
RotatableBondCount:
__
Xlogp3:
2.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Brc1ccc(cc1)[Si](c1ccccc1)(c1ccccc1)c1ccccc1
NscNumber: __
Complexity: 364
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Brc1ccc(cc1)[Si](c1ccccc1)(c1ccccc1)c1ccccc1
NscNumber:
__
Complexity:
364
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__