AB26829
249647-25-4 | 3-Bromo-4-iodobenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AB26829
ChemicalName
3-Bromo-4-iodobenzoic acid
CasNumber
249647-25-4
MolecularFormula
C7H4BrIO2
MolecularWeight
326.9139
MdlNumber
MFCD06808825
Smiles
OC(=O)c1ccc(c(c1)Br)I
Complexity
163
Covalently-bondedUnitCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
2.8
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CatalogNumber: AB26829
ChemicalName: 3-Bromo-4-iodobenzoic acid
CasNumber: 249647-25-4
MolecularFormula: C7H4BrIO2
MolecularWeight: 326.9139
MdlNumber: MFCD06808825
Smiles: OC(=O)c1ccc(c(c1)Br)I
Complexity: 163
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 2.8
CatalogNumber:
AB26829
ChemicalName:
3-Bromo-4-iodobenzoic acid
CasNumber:
249647-25-4
MolecularFormula:
C7H4BrIO2
MolecularWeight:
326.9139
MdlNumber:
MFCD06808825
Smiles:
OC(=O)c1ccc(c(c1)Br)I
Complexity:
163
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
2.8
CatalogNumber: AB26830
ChemicalName: Methyl 3-bromo-4-iodobenzoate
CasNumber: 249647-24-3
MolecularFormula: C8H6BrIO2
MolecularWeight: 340.9405
MdlNumber: MFCD01687885
Smiles: COC(=O)c1ccc(c(c1)Br)I
Complexity: 174
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: __
RotatableBondCount: 2
Xlogp3: 3.1
CatalogNumber:
AB26830
ChemicalName:
Methyl 3-bromo-4-iodobenzoate
CasNumber:
249647-24-3
MolecularFormula:
C8H6BrIO2
MolecularWeight:
340.9405
MdlNumber:
MFCD01687885
Smiles:
COC(=O)c1ccc(c(c1)Br)I
Complexity:
174
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
RotatableBondCount:
2
Xlogp3:
3.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC[C@H]([C@H]([C@@H]1OC(=C[C@@H]([C@H]1NC(=O)C)O)C(=O)O)O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC[C@H]([C@H]([C@@H]1OC(=C[C@@H]([C@H]1NC(=O)C)O)C(=O)O)O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Clc1cccc(c1S)Cl
Complexity: 87.1
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 3.3
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Clc1cccc(c1S)Cl
Complexity:
87.1
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
3.3