AD72448
1355247-91-4 | 1-Bromo-3-(t-butylaminomethyl)-2-fluorobenzene
Manufacturer: A2B Chem
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CatalogNumber
AD72448
ChemicalName
1-Bromo-3-(t-butylaminomethyl)-2-fluorobenzene
CasNumber
1355247-91-4
MolecularFormula
C11H15BrFN
MolecularWeight
260.1459
MdlNumber
MFCD21333080
Smiles
CC(NCc1cccc(c1F)Br)(C)C
Complexity
179
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
3.1
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CatalogNumber: AD72448
ChemicalName: 1-Bromo-3-(t-butylaminomethyl)-2-fluorobenzene
CasNumber: 1355247-91-4
MolecularFormula: C11H15BrFN
MolecularWeight: 260.1459
MdlNumber: MFCD21333080
Smiles: CC(NCc1cccc(c1F)Br)(C)C
Complexity: 179
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 3.1
CatalogNumber:
AD72448
ChemicalName:
1-Bromo-3-(t-butylaminomethyl)-2-fluorobenzene
CasNumber:
1355247-91-4
MolecularFormula:
C11H15BrFN
MolecularWeight:
260.1459
MdlNumber:
MFCD21333080
Smiles:
CC(NCc1cccc(c1F)Br)(C)C
Complexity:
179
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
3.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Fc1cccc(c1CNC(C)(C)C)Br
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Fc1cccc(c1CNC(C)(C)C)Br
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Fc1cccc(c1CN1CCCCC1)Br
Complexity: 194
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 3.4
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Fc1cccc(c1CN1CCCCC1)Br
Complexity:
194
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
3.4
CatalogNumber: AD72451
ChemicalName: 2-Chloro-4-(3-fluoro-4-methylphenyl)benzonitrile
CasNumber: 1355247-63-0
MolecularFormula: C14H9ClFN
MolecularWeight: 245.6794
MdlNumber: MFCD21333013
Smiles: N#Cc1ccc(cc1Cl)c1ccc(c(c1)F)C
Complexity: 311
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: __
RotatableBondCount: 1
Xlogp3: 4.4
CatalogNumber:
AD72451
ChemicalName:
2-Chloro-4-(3-fluoro-4-methylphenyl)benzonitrile
CasNumber:
1355247-63-0
MolecularFormula:
C14H9ClFN
MolecularWeight:
245.6794
MdlNumber:
MFCD21333013
Smiles:
N#Cc1ccc(cc1Cl)c1ccc(c(c1)F)C
Complexity:
311
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
RotatableBondCount:
1
Xlogp3:
4.4