AA69020
141940-36-5 | tert-Butyl 2-(trifluoromethyl)phenylcarbamate
Manufacturer: A2B Chem
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CatalogNumber
AA69020
ChemicalName
tert-Butyl 2-(trifluoromethyl)phenylcarbamate
CasNumber
141940-36-5
MolecularFormula
C12H14F3NO2
MolecularWeight
261.2403
MdlNumber
MFCD17015724
Smiles
O=C(OC(C)(C)C)Nc1ccccc1C(F)(F)F
Complexity
297
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
3.1
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CatalogNumber: AA69020
ChemicalName: tert-Butyl 2-(trifluoromethyl)phenylcarbamate
CasNumber: 141940-36-5
MolecularFormula: C12H14F3NO2
MolecularWeight: 261.2403
MdlNumber: MFCD17015724
Smiles: O=C(OC(C)(C)C)Nc1ccccc1C(F)(F)F
Complexity: 297
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 3.1
CatalogNumber:
AA69020
ChemicalName:
tert-Butyl 2-(trifluoromethyl)phenylcarbamate
CasNumber:
141940-36-5
MolecularFormula:
C12H14F3NO2
MolecularWeight:
261.2403
MdlNumber:
MFCD17015724
Smiles:
O=C(OC(C)(C)C)Nc1ccccc1C(F)(F)F
Complexity:
297
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
3.1
CatalogNumber: AA69021
ChemicalName: 5-([(tert-Butoxy)carbonyl]amino)-2-fluorobenzoic acid
CasNumber: 141940-32-1
MolecularFormula: C12H14FNO4
MolecularWeight: 255.2423
MdlNumber: MFCD12525335
Smiles: O=C(OC(C)(C)C)Nc1ccc(c(c1)C(=O)O)F
Complexity: 327
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 4
Xlogp3: 2.9
CatalogNumber:
AA69021
ChemicalName:
5-([(tert-Butoxy)carbonyl]amino)-2-fluorobenzoic acid
CasNumber:
141940-32-1
MolecularFormula:
C12H14FNO4
MolecularWeight:
255.2423
MdlNumber:
MFCD12525335
Smiles:
O=C(OC(C)(C)C)Nc1ccc(c(c1)C(=O)O)F
Complexity:
327
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
4
Xlogp3:
2.9
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Smiles: O=C(OC(C)(C)C)Nc1ccc(cc1C(=O)O)C(F)(F)F
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Smiles:
O=C(OC(C)(C)C)Nc1ccc(cc1C(=O)O)C(F)(F)F
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Smiles: CSc1cc(Br)cc(c1)Br
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Smiles:
CSc1cc(Br)cc(c1)Br
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HydrogenBondDonorCount:
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