AA03386
1007455-21-1 | 2-Bromo-4-fluoro-5-methoxybenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AA03386
ChemicalName
2-Bromo-4-fluoro-5-methoxybenzoic acid
CasNumber
1007455-21-1
MolecularFormula
C8H6BrFO3
MolecularWeight
249.0338
MdlNumber
MFCD13193242
Smiles
COc1cc(C(=O)O)c(cc1F)Br
Complexity
200
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
2.2
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CatalogNumber: AA03386
ChemicalName: 2-Bromo-4-fluoro-5-methoxybenzoic acid
CasNumber: 1007455-21-1
MolecularFormula: C8H6BrFO3
MolecularWeight: 249.0338
MdlNumber: MFCD13193242
Smiles: COc1cc(C(=O)O)c(cc1F)Br
Complexity: 200
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.2
CatalogNumber:
AA03386
ChemicalName:
2-Bromo-4-fluoro-5-methoxybenzoic acid
CasNumber:
1007455-21-1
MolecularFormula:
C8H6BrFO3
MolecularWeight:
249.0338
MdlNumber:
MFCD13193242
Smiles:
COc1cc(C(=O)O)c(cc1F)Br
Complexity:
200
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: [O-][N+](=O)c1ccc2c(c1)[nH]c(=O)cc2O
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:
[O-][N+](=O)c1ccc2c(c1)[nH]c(=O)cc2O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Brc1ccc2c(c1)[nH]c(=O)cc2O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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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:
Brc1ccc2c(c1)[nH]c(=O)cc2O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Cc1nn(c(=S)s1)C=O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Cc1nn(c(=S)s1)C=O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__