AF60382
415965-24-1 | 4-Bromo-2-fluoro-5-methylbenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AF60382
ChemicalName
4-Bromo-2-fluoro-5-methylbenzoic acid
CasNumber
415965-24-1
MolecularFormula
C8H6BrFO2
MolecularWeight
233.0344
MdlNumber
MFCD08458245
Smiles
OC(=O)c1cc(C)c(cc1F)Br
Complexity
186
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
2.6
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CatalogNumber: AF60382
ChemicalName: 4-Bromo-2-fluoro-5-methylbenzoic acid
CasNumber: 415965-24-1
MolecularFormula: C8H6BrFO2
MolecularWeight: 233.0344
MdlNumber: MFCD08458245
Smiles: OC(=O)c1cc(C)c(cc1F)Br
Complexity: 186
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 2.6
CatalogNumber:
AF60382
ChemicalName:
4-Bromo-2-fluoro-5-methylbenzoic acid
CasNumber:
415965-24-1
MolecularFormula:
C8H6BrFO2
MolecularWeight:
233.0344
MdlNumber:
MFCD08458245
Smiles:
OC(=O)c1cc(C)c(cc1F)Br
Complexity:
186
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
2.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C1C2C(C(C(O2)N3C=NC4=CN=C(N=C43)N)O)OP(=O)(O1)[O-].[Na+]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
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:
C1C2C(C(C(O2)N3C=NC4=CN=C(N=C43)N)O)OP(=O)(O1)[O-].[Na+]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC1C2OP(=O)(O)OCC2OC1n1c(=O)[nH]c2c1ncnc2N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC1C2OP(=O)(O)OCC2OC1n1c(=O)[nH]c2c1ncnc2N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O[C@@H]1[C@H](O)[C@H](O[C@H]1n1c(Cl)nc2c1ncnc2N)COP(=O)(O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O[C@@H]1[C@H](O)[C@H](O[C@H]1n1c(Cl)nc2c1ncnc2N)COP(=O)(O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__