AD68757
1072945-57-3 | N-BOC-4-Fluoro-3-trifluoromethylaniline
Manufacturer: A2B Chem
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CatalogNumber
AD68757
ChemicalName
N-BOC-4-Fluoro-3-trifluoromethylaniline
CasNumber
1072945-57-3
MolecularFormula
C12H13F4NO2
MolecularWeight
279.2307
MdlNumber
MFCD11504831
Smiles
O=C(OC(C)(C)C)Nc1ccc(c(c1)C(F)(F)F)F
Complexity
325
Covalently-bondedUnitCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
4.2
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CatalogNumber: AD68757
ChemicalName: N-BOC-4-Fluoro-3-trifluoromethylaniline
CasNumber: 1072945-57-3
MolecularFormula: C12H13F4NO2
MolecularWeight: 279.2307
MdlNumber: MFCD11504831
Smiles: O=C(OC(C)(C)C)Nc1ccc(c(c1)C(F)(F)F)F
Complexity: 325
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 4.2
CatalogNumber:
AD68757
ChemicalName:
N-BOC-4-Fluoro-3-trifluoromethylaniline
CasNumber:
1072945-57-3
MolecularFormula:
C12H13F4NO2
MolecularWeight:
279.2307
MdlNumber:
MFCD11504831
Smiles:
O=C(OC(C)(C)C)Nc1ccc(c(c1)C(F)(F)F)F
Complexity:
325
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
4.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)Cc1ccccc1B1OC(C(O1)(C)C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)Cc1ccccc1B1OC(C(O1)(C)C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)c1nc(oc1CC(C)C)N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)c1nc(oc1CC(C)C)N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AD68760
ChemicalName: 5-Amino-4-cyano-3-methyl-1-(perfluorophenyl)pyrazole
CasNumber: 1072944-84-3
MolecularFormula: C11H5F5N4
MolecularWeight: 288.1762
MdlNumber: MFCD11053834
Smiles: N#Cc1c(C)nn(c1N)c1c(F)c(F)c(c(c1F)F)F
Complexity: 399
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 8
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 2.7
CatalogNumber:
AD68760
ChemicalName:
5-Amino-4-cyano-3-methyl-1-(perfluorophenyl)pyrazole
CasNumber:
1072944-84-3
MolecularFormula:
C11H5F5N4
MolecularWeight:
288.1762
MdlNumber:
MFCD11053834
Smiles:
N#Cc1c(C)nn(c1N)c1c(F)c(F)c(c(c1F)F)F
Complexity:
399
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
8
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
2.7