AD24896
1355247-98-1 | 1-Bromo-3-fluoro-2-(benzylaminomethyl)benzene
Manufacturer: A2B Chem
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CatalogNumber
AD24896
ChemicalName
1-Bromo-3-fluoro-2-(benzylaminomethyl)benzene
CasNumber
1355247-98-1
MolecularFormula
C14H13BrFN
MolecularWeight
294.1621
MdlNumber
MFCD21333057
Smiles
Fc1cccc(c1CNCc1ccccc1)Br
Complexity
218
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
4
Xlogp3
3.6
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CatalogNumber: AD24896
ChemicalName: 1-Bromo-3-fluoro-2-(benzylaminomethyl)benzene
CasNumber: 1355247-98-1
MolecularFormula: C14H13BrFN
MolecularWeight: 294.1621
MdlNumber: MFCD21333057
Smiles: Fc1cccc(c1CNCc1ccccc1)Br
Complexity: 218
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 3.6
CatalogNumber:
AD24896
ChemicalName:
1-Bromo-3-fluoro-2-(benzylaminomethyl)benzene
CasNumber:
1355247-98-1
MolecularFormula:
C14H13BrFN
MolecularWeight:
294.1621
MdlNumber:
MFCD21333057
Smiles:
Fc1cccc(c1CNCc1ccccc1)Br
Complexity:
218
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
3.6
CatalogNumber: AD24897
ChemicalName: 1-Bromo-2-fluoro-3-(phenylaminomethyl)benzene
CasNumber: 1355247-92-5
MolecularFormula: C13H11BrFN
MolecularWeight: 280.1355
MdlNumber: MFCD21333083
Smiles: Fc1c(cccc1Br)CNc1ccccc1
Complexity: 206
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 4.2
CatalogNumber:
AD24897
ChemicalName:
1-Bromo-2-fluoro-3-(phenylaminomethyl)benzene
CasNumber:
1355247-92-5
MolecularFormula:
C13H11BrFN
MolecularWeight:
280.1355
MdlNumber:
MFCD21333083
Smiles:
Fc1c(cccc1Br)CNc1ccccc1
Complexity:
206
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
4.2
CatalogNumber: AD24898
ChemicalName: N,N-Dimethyl-4-(3-nitrophenyl)benzamide
CasNumber: 1355247-88-9
MolecularFormula: C15H14N2O3
MolecularWeight: 270.2833
MdlNumber: MFCD21333021
Smiles: CN(C(=O)c1ccc(cc1)c1cccc(c1)[N+](=O)[O-])C
Complexity: 357
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: 2
Xlogp3: 3.3
CatalogNumber:
AD24898
ChemicalName:
N,N-Dimethyl-4-(3-nitrophenyl)benzamide
CasNumber:
1355247-88-9
MolecularFormula:
C15H14N2O3
MolecularWeight:
270.2833
MdlNumber:
MFCD21333021
Smiles:
CN(C(=O)c1ccc(cc1)c1cccc(c1)[N+](=O)[O-])C
Complexity:
357
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
2
Xlogp3:
3.3
CatalogNumber: AD24899
ChemicalName: Methyl 4-(3-fluoropyridin-2-yl)benzoate
CasNumber: 1355247-87-8
MolecularFormula: C13H10FNO2
MolecularWeight: 231.2224
MdlNumber: MFCD21333046
Smiles: COC(=O)c1ccc(cc1)c1ncccc1F
Complexity: 264
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: __
RotatableBondCount: 3
Xlogp3: 2.5
CatalogNumber:
AD24899
ChemicalName:
Methyl 4-(3-fluoropyridin-2-yl)benzoate
CasNumber:
1355247-87-8
MolecularFormula:
C13H10FNO2
MolecularWeight:
231.2224
MdlNumber:
MFCD21333046
Smiles:
COC(=O)c1ccc(cc1)c1ncccc1F
Complexity:
264
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
__
RotatableBondCount:
3
Xlogp3:
2.5