AE14802
1036389-86-2 | Methyl 5-amino-2-bromo-4-fluorobenzoate
Manufacturer: A2B Chem
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CatalogNumber
AE14802
ChemicalName
Methyl 5-amino-2-bromo-4-fluorobenzoate
CasNumber
1036389-86-2
MolecularFormula
C8H7BrFNO2
MolecularWeight
248.0491
MdlNumber
MFCD17128522
Smiles
COC(=O)c1cc(N)c(cc1Br)F
Complexity
203
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
1.9
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CatalogNumber: AE14802
ChemicalName: Methyl 5-amino-2-bromo-4-fluorobenzoate
CasNumber: 1036389-86-2
MolecularFormula: C8H7BrFNO2
MolecularWeight: 248.0491
MdlNumber: MFCD17128522
Smiles: COC(=O)c1cc(N)c(cc1Br)F
Complexity: 203
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 1.9
CatalogNumber:
AE14802
ChemicalName:
Methyl 5-amino-2-bromo-4-fluorobenzoate
CasNumber:
1036389-86-2
MolecularFormula:
C8H7BrFNO2
MolecularWeight:
248.0491
MdlNumber:
MFCD17128522
Smiles:
COC(=O)c1cc(N)c(cc1Br)F
Complexity:
203
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
1.9
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Smiles: CCCc1nc2c(n1Cc1ccc(cc1)c1ccccc1C(=O)O)c(C)cc(c2)c1nc2c(n1C)cccc2
Complexity: __
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HeavyAtomCount: __
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Smiles:
CCCc1nc2c(n1Cc1ccc(cc1)c1ccccc1C(=O)O)c(C)cc(c2)c1nc2c(n1C)cccc2
Complexity:
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Smiles: CCCCCCCCCCCCCCCCCC(=O)NCC(COP(=O)([O-])OCC[N+](C)(C)C)OCC
Complexity: __
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Smiles:
CCCCCCCCCCCCCCCCCC(=O)NCC(COP(=O)([O-])OCC[N+](C)(C)C)OCC
Complexity:
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Smiles: OC[C@H]([C@H]([C@@H]1O[C@@](C[C@@H]([C@H]1NC(=O)CO)O)(Oc1ccc(cc1)[N+](=O)[O-])C(=O)O)O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
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ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
__
MdlNumber:
__
Smiles:
OC[C@H]([C@H]([C@@H]1O[C@@](C[C@@H]([C@H]1NC(=O)CO)O)(Oc1ccc(cc1)[N+](=O)[O-])C(=O)O)O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__