AB35895
289038-17-1 | 2-Bromo-4-fluorocinnamic acid
Manufacturer: A2B Chem
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CatalogNumber
AB35895
ChemicalName
2-Bromo-4-fluorocinnamic acid
CasNumber
289038-17-1
MolecularFormula
C9H6BrFO2
MolecularWeight
245.0451
MdlNumber
MFCD00672926
Smiles
OC(=O)C=Cc1ccc(cc1Br)F
Complexity
218
Covalently-bondedUnitCount
1
DefinedBondStereocenterCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
2.7
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CatalogNumber: AB35895
ChemicalName: 2-Bromo-4-fluorocinnamic acid
CasNumber: 289038-17-1
MolecularFormula: C9H6BrFO2
MolecularWeight: 245.0451
MdlNumber: MFCD00672926
Smiles: OC(=O)C=Cc1ccc(cc1Br)F
Complexity: 218
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.7
CatalogNumber:
AB35895
ChemicalName:
2-Bromo-4-fluorocinnamic acid
CasNumber:
289038-17-1
MolecularFormula:
C9H6BrFO2
MolecularWeight:
245.0451
MdlNumber:
MFCD00672926
Smiles:
OC(=O)C=Cc1ccc(cc1Br)F
Complexity:
218
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.7
CatalogNumber: AB35896
ChemicalName: 2-Bromo-4-fluorobenzylamine, HCl
CasNumber: 289038-14-8
MolecularFormula: C7H8BrClFN
MolecularWeight: 240.5005
MdlNumber: MFCD00672922
Smiles: NCc1ccc(cc1Br)F.Cl
Complexity: 110
Covalently-bondedUnitCount: 2
DefinedBondStereocenterCount: __
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 2
RotatableBondCount: 1
Xlogp3: __
CatalogNumber:
AB35896
ChemicalName:
2-Bromo-4-fluorobenzylamine, HCl
CasNumber:
289038-14-8
MolecularFormula:
C7H8BrClFN
MolecularWeight:
240.5005
MdlNumber:
MFCD00672922
Smiles:
NCc1ccc(cc1Br)F.Cl
Complexity:
110
Covalently-bondedUnitCount:
2
DefinedBondStereocenterCount:
__
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
2
RotatableBondCount:
1
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Cc1cc(Br)c(c(c1)I)N
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Cc1cc(Br)c(c(c1)I)N
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OCC1C2C1CNC2
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OCC1C2C1CNC2
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__