AB44705
531508-46-0 | 4-Aminomethyl-2,2-difluoro-1,3-benzodioxole
Manufacturer: A2B Chem
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CatalogNumber
AB44705
ChemicalName
4-Aminomethyl-2,2-difluoro-1,3-benzodioxole
CasNumber
531508-46-0
MolecularFormula
C8H7F2NO2
MolecularWeight
187.1435
MdlNumber
MFCD16617616
Smiles
NCc1cccc2c1OC(O2)(F)F
Complexity
201
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
1.4
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CatalogNumber: AB44705
ChemicalName: 4-Aminomethyl-2,2-difluoro-1,3-benzodioxole
CasNumber: 531508-46-0
MolecularFormula: C8H7F2NO2
MolecularWeight: 187.1435
MdlNumber: MFCD16617616
Smiles: NCc1cccc2c1OC(O2)(F)F
Complexity: 201
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 1.4
CatalogNumber:
AB44705
ChemicalName:
4-Aminomethyl-2,2-difluoro-1,3-benzodioxole
CasNumber:
531508-46-0
MolecularFormula:
C8H7F2NO2
MolecularWeight:
187.1435
MdlNumber:
MFCD16617616
Smiles:
NCc1cccc2c1OC(O2)(F)F
Complexity:
201
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
1.4
CatalogNumber: AB44706
ChemicalName: 4-(Bis(4-fluorophenyl)methylene)piperidine
CasNumber: 58113-36-3
MolecularFormula: C18H17F2N
MolecularWeight: 285.3311
MdlNumber: MFCD13192725
Smiles: Fc1ccc(cc1)C(=C1CCNCC1)c1ccc(cc1)F
Complexity: 331
Covalently-bondedUnitCount: 1
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 4.1
CatalogNumber:
AB44706
ChemicalName:
4-(Bis(4-fluorophenyl)methylene)piperidine
CasNumber:
58113-36-3
MolecularFormula:
C18H17F2N
MolecularWeight:
285.3311
MdlNumber:
MFCD13192725
Smiles:
Fc1ccc(cc1)C(=C1CCNCC1)c1ccc(cc1)F
Complexity:
331
Covalently-bondedUnitCount:
1
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
4.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NCc1ccc(cc1)NC(=O)OC(C)(C)C
Complexity: 228
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 1.3
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NCc1ccc(cc1)NC(=O)OC(C)(C)C
Complexity:
228
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
1.3
CatalogNumber: AB44708
ChemicalName: 4-(Bromomethyl)pyridine hydrobromide
CasNumber: 73870-24-3
MolecularFormula: C6H7Br2N
MolecularWeight: 252.9345
MdlNumber: MFCD01863545
Smiles: BrCc1ccncc1.Br
Complexity: 59.5
Covalently-bondedUnitCount: 2
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: __
CatalogNumber:
AB44708
ChemicalName:
4-(Bromomethyl)pyridine hydrobromide
CasNumber:
73870-24-3
MolecularFormula:
C6H7Br2N
MolecularWeight:
252.9345
MdlNumber:
MFCD01863545
Smiles:
BrCc1ccncc1.Br
Complexity:
59.5
Covalently-bondedUnitCount:
2
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
__