AB63164
95333-95-2 | 3-(3,5-Dichloro-phenyl)-propionic acid
Manufacturer: A2B Chem
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CatalogNumber
AB63164
ChemicalName
3-(3,5-Dichloro-phenyl)-propionic acid
CasNumber
95333-95-2
MolecularFormula
C9H8Cl2O2
MolecularWeight
219.06462
MdlNumber
MFCD04037332
Smiles
OC(=O)CCc1cc(Cl)cc(c1)Cl
Complexity
175
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
2.9
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CatalogNumber: AB63164
ChemicalName: 3-(3,5-Dichloro-phenyl)-propionic acid
CasNumber: 95333-95-2
MolecularFormula: C9H8Cl2O2
MolecularWeight: 219.06462
MdlNumber: MFCD04037332
Smiles: OC(=O)CCc1cc(Cl)cc(c1)Cl
Complexity: 175
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 2.9
CatalogNumber:
AB63164
ChemicalName:
3-(3,5-Dichloro-phenyl)-propionic acid
CasNumber:
95333-95-2
MolecularFormula:
C9H8Cl2O2
MolecularWeight:
219.06462
MdlNumber:
MFCD04037332
Smiles:
OC(=O)CCc1cc(Cl)cc(c1)Cl
Complexity:
175
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
2.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=Cc1c[nH]nc1c1cc(F)cc(c1)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=Cc1c[nH]nc1c1cc(F)cc(c1)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB63166
ChemicalName: 3-(3,5-Difluorophenyl)propionic acid
CasNumber: 84315-24-2
MolecularFormula: C9H8F2O2
MolecularWeight: 186.1554264
MdlNumber: MFCD04116054
Smiles: OC(=O)CCc1cc(F)cc(c1)F
Complexity: 175
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 1.9
CatalogNumber:
AB63166
ChemicalName:
3-(3,5-Difluorophenyl)propionic acid
CasNumber:
84315-24-2
MolecularFormula:
C9H8F2O2
MolecularWeight:
186.1554264
MdlNumber:
MFCD04116054
Smiles:
OC(=O)CCc1cc(F)cc(c1)F
Complexity:
175
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
1.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1cc(COc2cccc(c2)B(O)O)cc(c1)OC
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1cc(COc2cccc(c2)B(O)O)cc(c1)OC
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__