AG34089
5613-26-3 | 4-Bromo-2,3-dimethylbenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AG34089
ChemicalName
4-Bromo-2,3-dimethylbenzoic acid
CasNumber
5613-26-3
MolecularFormula
C9H9BrO2
MolecularWeight
229.0706
MdlNumber
MFCD18917144
Smiles
OC(=O)c1ccc(c(c1C)C)Br
Complexity
181
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
2.9
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CatalogNumber: AG34089
ChemicalName: 4-Bromo-2,3-dimethylbenzoic acid
CasNumber: 5613-26-3
MolecularFormula: C9H9BrO2
MolecularWeight: 229.0706
MdlNumber: MFCD18917144
Smiles: OC(=O)c1ccc(c(c1C)C)Br
Complexity: 181
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 2.9
CatalogNumber:
AG34089
ChemicalName:
4-Bromo-2,3-dimethylbenzoic acid
CasNumber:
5613-26-3
MolecularFormula:
C9H9BrO2
MolecularWeight:
229.0706
MdlNumber:
MFCD18917144
Smiles:
OC(=O)c1ccc(c(c1C)C)Br
Complexity:
181
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
2.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
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Smiles: O[C@H]1CC[C@]2([C@@](C1)(O)[C@H](O)C[C@@H]1[C@@H]2CC[C@]2([C@H]1CCC2)C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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MolecularFormula:
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Smiles:
O[C@H]1CC[C@]2([C@@](C1)(O)[C@H](O)C[C@@H]1[C@@H]2CC[C@]2([C@H]1CCC2)C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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ChemicalName: __
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Smiles: CC1C=CC=C2C1=c1ccccc1=[SiH]2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
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MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
CC1C=CC=C2C1=c1ccccc1=[SiH]2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
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MolecularFormula: __
MolecularWeight: __
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Smiles: C=C[Si]1(C)c2ccccc2-c2c1cccc2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C=C[Si]1(C)c2ccccc2-c2c1cccc2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__