AB66094
4315-07-5 | 4-(Trifluoromethoxy)phenylacetic acid
Manufacturer: A2B Chem
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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
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
2.6
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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
HydrogenBondDonorCount: 1
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
HydrogenBondDonorCount:
1
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
HydrogenBondDonorCount: __
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
HydrogenBondDonorCount:
__
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
HydrogenBondDonorCount: __
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
HydrogenBondDonorCount:
__
RotatableBondCount:
3
Xlogp3:
__
CatalogNumber: AB66097
ChemicalName: 3,4-Diaminobenzotrifluoride
CasNumber: 368-71-8
MolecularFormula: C7H7F3N2
MolecularWeight: 176.13908959999998
MdlNumber: MFCD00042456
Smiles: Nc1ccc(cc1N)C(F)(F)F
Complexity: 157
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: __
Xlogp3: 1.1
CatalogNumber:
AB66097
ChemicalName:
3,4-Diaminobenzotrifluoride
CasNumber:
368-71-8
MolecularFormula:
C7H7F3N2
MolecularWeight:
176.13908959999998
MdlNumber:
MFCD00042456
Smiles:
Nc1ccc(cc1N)C(F)(F)F
Complexity:
157
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
__
Xlogp3:
1.1