AA98807
183065-72-7 | 6-bromo-2,3-difluorobenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AA98807
ChemicalName
6-bromo-2,3-difluorobenzoic acid
CasNumber
183065-72-7
MolecularFormula
C7H3BrF2O2
MolecularWeight
236.9983
MdlNumber
MFCD07368092
Smiles
OC(=O)c1c(Br)ccc(c1F)F
Complexity
188
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
1.4
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CatalogNumber: AA98807
ChemicalName: 6-bromo-2,3-difluorobenzoic acid
CasNumber: 183065-72-7
MolecularFormula: C7H3BrF2O2
MolecularWeight: 236.9983
MdlNumber: MFCD07368092
Smiles: OC(=O)c1c(Br)ccc(c1F)F
Complexity: 188
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 1.4
CatalogNumber:
AA98807
ChemicalName:
6-bromo-2,3-difluorobenzoic acid
CasNumber:
183065-72-7
MolecularFormula:
C7H3BrF2O2
MolecularWeight:
236.9983
MdlNumber:
MFCD07368092
Smiles:
OC(=O)c1c(Br)ccc(c1F)F
Complexity:
188
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
1.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCCCCCCCCCCCCCCCCCOC(=O)CCCCCCC
Complexity: 301
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 11.9
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCCCCCCCCCCCCCCCCCOC(=O)CCCCCCC
Complexity:
301
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
11.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CO[C@H]1O[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@H]([C@@H]([C@H]1O)O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CO[C@H]1O[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@H]([C@@H]([C@H]1O)O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1ccccc1c1nc(c(n1n1c(nc(c1c1ccccc1)c1ccccc1)c1ccccc1OC)c1ccccc1)c1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1ccccc1c1nc(c(n1n1c(nc(c1c1ccccc1)c1ccccc1)c1ccccc1OC)c1ccccc1)c1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__