AC14391
870849-59-5 | (1S)-1-(4-Fluoro-3-methoxyphenyl)ethylamine
Manufacturer: A2B Chem
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CatalogNumber
AC14391
ChemicalName
(1S)-1-(4-Fluoro-3-methoxyphenyl)ethylamine
CasNumber
870849-59-5
MolecularFormula
C9H12FNO
MolecularWeight
169.1961
MdlNumber
MFCD08057441
Smiles
COc1cc(ccc1F)[C@@H](N)C
Complexity
143
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
1.3
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CatalogNumber: AC14391
ChemicalName: (1S)-1-(4-Fluoro-3-methoxyphenyl)ethylamine
CasNumber: 870849-59-5
MolecularFormula: C9H12FNO
MolecularWeight: 169.1961
MdlNumber: MFCD08057441
Smiles: COc1cc(ccc1F)[C@@H](N)C
Complexity: 143
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 1.3
CatalogNumber:
AC14391
ChemicalName:
(1S)-1-(4-Fluoro-3-methoxyphenyl)ethylamine
CasNumber:
870849-59-5
MolecularFormula:
C9H12FNO
MolecularWeight:
169.1961
MdlNumber:
MFCD08057441
Smiles:
COc1cc(ccc1F)[C@@H](N)C
Complexity:
143
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
1.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1cc(Br)ccc1n1cnc(c1)C
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1cc(Br)ccc1n1cnc(c1)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1cc(C=O)ccc1n1cnc(c1)C
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1cc(C=O)ccc1n1cnc(c1)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AC14398
ChemicalName: 5-Chloro-2-(trifluoromethoxy)phenylboronic acid
CasNumber: 870822-78-9
MolecularFormula: C7H5BClF3O3
MolecularWeight: 240.372
MdlNumber: MFCD10697424
Smiles: Clc1ccc(c(c1)B(O)O)OC(F)(F)F
Complexity: 214
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: __
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: __
CatalogNumber:
AC14398
ChemicalName:
5-Chloro-2-(trifluoromethoxy)phenylboronic acid
CasNumber:
870822-78-9
MolecularFormula:
C7H5BClF3O3
MolecularWeight:
240.372
MdlNumber:
MFCD10697424
Smiles:
Clc1ccc(c(c1)B(O)O)OC(F)(F)F
Complexity:
214
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
__