AB64471
774-81-2 | 3-Bromo-4-methoxyphenylacetic acid
Manufacturer: A2B Chem
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CatalogNumber
AB64471
ChemicalName
3-Bromo-4-methoxyphenylacetic acid
CasNumber
774-81-2
MolecularFormula
C9H9BrO3
MolecularWeight
245.07
MdlNumber
MFCD00017538
Smiles
COc1ccc(cc1Br)CC(=O)O
Complexity
184
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
2
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CatalogNumber: AB64471
ChemicalName: 3-Bromo-4-methoxyphenylacetic acid
CasNumber: 774-81-2
MolecularFormula: C9H9BrO3
MolecularWeight: 245.07
MdlNumber: MFCD00017538
Smiles: COc1ccc(cc1Br)CC(=O)O
Complexity: 184
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 2
CatalogNumber:
AB64471
ChemicalName:
3-Bromo-4-methoxyphenylacetic acid
CasNumber:
774-81-2
MolecularFormula:
C9H9BrO3
MolecularWeight:
245.07
MdlNumber:
MFCD00017538
Smiles:
COc1ccc(cc1Br)CC(=O)O
Complexity:
184
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: N#CCc1ccc(c(c1)Br)OC
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
N#CCc1ccc(c(c1)Br)OC
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB64473
ChemicalName: 3-Bromo-4-methyl-5-nitro-2-pyridinone
CasNumber: 1049706-72-0
MolecularFormula: C6H5BrN2O3
MolecularWeight: 233.0195
MdlNumber: MFCD12828179
Smiles: [O-][N+](=O)c1c[nH]c(=O)c(c1C)Br
Complexity: 313
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: __
Xlogp3: 0.6
CatalogNumber:
AB64473
ChemicalName:
3-Bromo-4-methyl-5-nitro-2-pyridinone
CasNumber:
1049706-72-0
MolecularFormula:
C6H5BrN2O3
MolecularWeight:
233.0195
MdlNumber:
MFCD12828179
Smiles:
[O-][N+](=O)c1c[nH]c(=O)c(c1C)Br
Complexity:
313
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
__
Xlogp3:
0.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)c1ccc(c(c1)Br)C
Complexity: 158
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2.5
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)c1ccc(c(c1)Br)C
Complexity:
158
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2.5