AB67543
395-33-5 | 4-Fluoromandelic acid
Manufacturer: A2B Chem
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CatalogNumber
AB67543
ChemicalName
4-Fluoromandelic acid
CasNumber
395-33-5
MolecularFormula
C8H7FO3
MolecularWeight
170.1378
MdlNumber
MFCD00044402
Smiles
OC(c1ccc(cc1)F)C(=O)O
NscNumber
73990
Complexity
164
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
RotatableBondCount
2
UndefinedAtomStereocenterCount
1
Xlogp3
0.7
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CatalogNumber: AB67543
ChemicalName: 4-Fluoromandelic acid
CasNumber: 395-33-5
MolecularFormula: C8H7FO3
MolecularWeight: 170.1378
MdlNumber: MFCD00044402
Smiles: OC(c1ccc(cc1)F)C(=O)O
NscNumber: 73990
Complexity: 164
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 2
UndefinedAtomStereocenterCount: 1
Xlogp3: 0.7
CatalogNumber:
AB67543
ChemicalName:
4-Fluoromandelic acid
CasNumber:
395-33-5
MolecularFormula:
C8H7FO3
MolecularWeight:
170.1378
MdlNumber:
MFCD00044402
Smiles:
OC(c1ccc(cc1)F)C(=O)O
NscNumber:
73990
Complexity:
164
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
1
Xlogp3:
0.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1ccc(cc1)CNC(=O)c1ccc(cc1)F
NscNumber: __
Complexity: 282
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 2.3
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1ccc(cc1)CNC(=O)c1ccc(cc1)F
NscNumber:
__
Complexity:
282
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
2.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CN(c1ccc(cc1)F)C
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CN(c1ccc(cc1)F)C
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: AB67546
ChemicalName: 4-Fluoro-N-methylaniline
CasNumber: 459-59-6
MolecularFormula: C7H8FN
MolecularWeight: 125.14352320000002
MdlNumber: MFCD00017942
Smiles: CNc1ccc(cc1)F
NscNumber: __
Complexity: 77
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 1
UndefinedAtomStereocenterCount: __
Xlogp3: 2.3
CatalogNumber:
AB67546
ChemicalName:
4-Fluoro-N-methylaniline
CasNumber:
459-59-6
MolecularFormula:
C7H8FN
MolecularWeight:
125.14352320000002
MdlNumber:
MFCD00017942
Smiles:
CNc1ccc(cc1)F
NscNumber:
__
Complexity:
77
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
1
UndefinedAtomStereocenterCount:
__
Xlogp3:
2.3