AC12397
878207-28-4 | Methyl 2-bromo-4,5-difluorobenzoate
Manufacturer: A2B Chem
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CatalogNumber
AC12397
ChemicalName
Methyl 2-bromo-4,5-difluorobenzoate
CasNumber
878207-28-4
MolecularFormula
C8H5BrF2O2
MolecularWeight
251.0249
MdlNumber
MFCD08458104
Smiles
COC(=O)c1cc(F)c(cc1Br)F
Complexity
201
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
4
RotatableBondCount
2
Xlogp3
2.7
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CatalogNumber: AC12397
ChemicalName: Methyl 2-bromo-4,5-difluorobenzoate
CasNumber: 878207-28-4
MolecularFormula: C8H5BrF2O2
MolecularWeight: 251.0249
MdlNumber: MFCD08458104
Smiles: COC(=O)c1cc(F)c(cc1Br)F
Complexity: 201
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
RotatableBondCount: 2
Xlogp3: 2.7
CatalogNumber:
AC12397
ChemicalName:
Methyl 2-bromo-4,5-difluorobenzoate
CasNumber:
878207-28-4
MolecularFormula:
C8H5BrF2O2
MolecularWeight:
251.0249
MdlNumber:
MFCD08458104
Smiles:
COC(=O)c1cc(F)c(cc1Br)F
Complexity:
201
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
RotatableBondCount:
2
Xlogp3:
2.7
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Smiles: CCCCN(S(=O)(=O)c1cccc(c1)[N+](=O)[O-])c1ccccc1
Complexity: __
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HeavyAtomCount: __
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Smiles:
CCCCN(S(=O)(=O)c1cccc(c1)[N+](=O)[O-])c1ccccc1
Complexity:
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Smiles: COCCn1c2ccc(cc2c2c1cccc2)N
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Smiles:
COCCn1c2ccc(cc2c2c1cccc2)N
Complexity:
__
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: COc1cc(ccc1O)CC(NCc1ccccc1)C
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HydrogenBondAcceptorCount: __
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MolecularFormula:
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Smiles:
COc1cc(ccc1O)CC(NCc1ccccc1)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__