AA41697
1314987-34-2 | Methyl 2-amino-5-bromo-4-fluorobenzoate
Manufacturer: A2B Chem
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CatalogNumber
AA41697
ChemicalName
Methyl 2-amino-5-bromo-4-fluorobenzoate
CasNumber
1314987-34-2
MolecularFormula
C8H7BrFNO2
MolecularWeight
248.0491
MdlNumber
MFCD09951812
Smiles
COC(=O)c1cc(Br)c(cc1N)F
Complexity
203
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
2.4
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CatalogNumber: AA41697
ChemicalName: Methyl 2-amino-5-bromo-4-fluorobenzoate
CasNumber: 1314987-34-2
MolecularFormula: C8H7BrFNO2
MolecularWeight: 248.0491
MdlNumber: MFCD09951812
Smiles: COC(=O)c1cc(Br)c(cc1N)F
Complexity: 203
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.4
CatalogNumber:
AA41697
ChemicalName:
Methyl 2-amino-5-bromo-4-fluorobenzoate
CasNumber:
1314987-34-2
MolecularFormula:
C8H7BrFNO2
MolecularWeight:
248.0491
MdlNumber:
MFCD09951812
Smiles:
COC(=O)c1cc(Br)c(cc1N)F
Complexity:
203
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCCCc1n[nH]c2c1ccc(c2)Br
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCCCc1n[nH]c2c1ccc(c2)Br
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CSc1cc(F)c(cc1Br)Br
Complexity: 134
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 3.9
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CSc1cc(F)c(cc1Br)Br
Complexity:
134
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
3.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOc1ccc2c(c1)n(cn2)C(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOc1ccc2c(c1)n(cn2)C(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__