AB66093
64285-95-6 | 4-(Trifluoromethoxy)phenylisothiocyanate
Manufacturer: A2B Chem
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CatalogNumber
AB66093
ChemicalName
4-(Trifluoromethoxy)phenylisothiocyanate
CasNumber
64285-95-6
MolecularFormula
C8H4F3NOS
MolecularWeight
219.1837
MdlNumber
MFCD00042412
Smiles
S=C=Nc1ccc(cc1)OC(F)(F)F
Complexity
229
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
6
RotatableBondCount
2
Xlogp3
4.8
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CatalogNumber: AB66093
ChemicalName: 4-(Trifluoromethoxy)phenylisothiocyanate
CasNumber: 64285-95-6
MolecularFormula: C8H4F3NOS
MolecularWeight: 219.1837
MdlNumber: MFCD00042412
Smiles: S=C=Nc1ccc(cc1)OC(F)(F)F
Complexity: 229
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 6
RotatableBondCount: 2
Xlogp3: 4.8
CatalogNumber:
AB66093
ChemicalName:
4-(Trifluoromethoxy)phenylisothiocyanate
CasNumber:
64285-95-6
MolecularFormula:
C8H4F3NOS
MolecularWeight:
219.1837
MdlNumber:
MFCD00042412
Smiles:
S=C=Nc1ccc(cc1)OC(F)(F)F
Complexity:
229
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
6
RotatableBondCount:
2
Xlogp3:
4.8
CatalogNumber: AB66094
ChemicalName: 4-(Trifluoromethoxy)phenylacetic acid
CasNumber: 4315-07-5
MolecularFormula: C9H7F3O3
MolecularWeight: 220.14528959999996
MdlNumber: MFCD00061239
Smiles: OC(=O)Cc1ccc(cc1)OC(F)(F)F
Complexity: 219
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 6
RotatableBondCount: 3
Xlogp3: 2.6
CatalogNumber:
AB66094
ChemicalName:
4-(Trifluoromethoxy)phenylacetic acid
CasNumber:
4315-07-5
MolecularFormula:
C9H7F3O3
MolecularWeight:
220.14528959999996
MdlNumber:
MFCD00061239
Smiles:
OC(=O)Cc1ccc(cc1)OC(F)(F)F
Complexity:
219
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
6
RotatableBondCount:
3
Xlogp3:
2.6
CatalogNumber: AB66095
ChemicalName: 4-(Trifluoromethoxy)phenylacetonitrile
CasNumber: 49561-96-8
MolecularFormula: C9H6F3NO
MolecularWeight: 201.1452
MdlNumber: MFCD00061240
Smiles: N#CCc1ccc(cc1)OC(F)(F)F
Complexity: 222
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 5
RotatableBondCount: 2
Xlogp3: 3
CatalogNumber:
AB66095
ChemicalName:
4-(Trifluoromethoxy)phenylacetonitrile
CasNumber:
49561-96-8
MolecularFormula:
C9H6F3NO
MolecularWeight:
201.1452
MdlNumber:
MFCD00061240
Smiles:
N#CCc1ccc(cc1)OC(F)(F)F
Complexity:
222
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
5
RotatableBondCount:
2
Xlogp3:
3
CatalogNumber: AB66096
ChemicalName: 4-(Trifluoromethoxy)phenylmethylboronic acid, pinacol ester
CasNumber: 872038-32-9
MolecularFormula: C14H18BF3O3
MolecularWeight: 302.0971
MdlNumber: MFCD08276838
Smiles: FC(Oc1ccc(cc1)CB1OC(C(O1)(C)C)(C)C)(F)F
Complexity: 347
Covalently-bondedUnitCount: 1
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 6
RotatableBondCount: 3
Xlogp3: __
CatalogNumber:
AB66096
ChemicalName:
4-(Trifluoromethoxy)phenylmethylboronic acid, pinacol ester
CasNumber:
872038-32-9
MolecularFormula:
C14H18BF3O3
MolecularWeight:
302.0971
MdlNumber:
MFCD08276838
Smiles:
FC(Oc1ccc(cc1)CB1OC(C(O1)(C)C)(C)C)(F)F
Complexity:
347
Covalently-bondedUnitCount:
1
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
6
RotatableBondCount:
3
Xlogp3:
__