AI12990
1204304-98-2 | Methyl 2-bromo-5-fluoro-4-methylbenzoate
Manufacturer: A2B Chem
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CatalogNumber
AI12990
ChemicalName
Methyl 2-bromo-5-fluoro-4-methylbenzoate
CasNumber
1204304-98-2
MolecularFormula
C9H8BrFO2
MolecularWeight
247.061
MdlNumber
MFCD28739724
Smiles
COC(=O)c1cc(F)c(cc1Br)C
Complexity
198
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
3
RotatableBondCount
2
Xlogp3
2.9
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CatalogNumber: AI12990
ChemicalName: Methyl 2-bromo-5-fluoro-4-methylbenzoate
CasNumber: 1204304-98-2
MolecularFormula: C9H8BrFO2
MolecularWeight: 247.061
MdlNumber: MFCD28739724
Smiles: COC(=O)c1cc(F)c(cc1Br)C
Complexity: 198
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
RotatableBondCount: 2
Xlogp3: 2.9
CatalogNumber:
AI12990
ChemicalName:
Methyl 2-bromo-5-fluoro-4-methylbenzoate
CasNumber:
1204304-98-2
MolecularFormula:
C9H8BrFO2
MolecularWeight:
247.061
MdlNumber:
MFCD28739724
Smiles:
COC(=O)c1cc(F)c(cc1Br)C
Complexity:
198
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
RotatableBondCount:
2
Xlogp3:
2.9
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CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C1CCCOc2c1cc(cc2)B1OC(C(O1)(C)C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
O=C1CCCOc2c1cc(cc2)B1OC(C(O1)(C)C)(C)C
Complexity:
__
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__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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Smiles: BrCC(=O)N(C1CC1)C
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Smiles:
BrCC(=O)N(C1CC1)C
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: C#Cc1ncc(cn1)F
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Xlogp3: __
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__
ChemicalName:
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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:
C#Cc1ncc(cn1)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__