AB44385
94022-99-8 | 3-[2-(Trifluoromethyl)phenyl]propanoic acid
Manufacturer: A2B Chem
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CatalogNumber
AB44385
ChemicalName
3-[2-(Trifluoromethyl)phenyl]propanoic acid
CasNumber
94022-99-8
MolecularFormula
C10H9F3O2
MolecularWeight
218.1725
MdlNumber
MFCD06823965
Smiles
OC(=O)CCc1ccccc1C(F)(F)F
Complexity
225
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
2.6
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CatalogNumber: AB44385
ChemicalName: 3-[2-(Trifluoromethyl)phenyl]propanoic acid
CasNumber: 94022-99-8
MolecularFormula: C10H9F3O2
MolecularWeight: 218.1725
MdlNumber: MFCD06823965
Smiles: OC(=O)CCc1ccccc1C(F)(F)F
Complexity: 225
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 2.6
CatalogNumber:
AB44385
ChemicalName:
3-[2-(Trifluoromethyl)phenyl]propanoic acid
CasNumber:
94022-99-8
MolecularFormula:
C10H9F3O2
MolecularWeight:
218.1725
MdlNumber:
MFCD06823965
Smiles:
OC(=O)CCc1ccccc1C(F)(F)F
Complexity:
225
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
2.6
CatalogNumber: AB44386
ChemicalName: 3-(1,2-Dimethyl-3-indolyl)-3-[4-(diethylamino)-2-methylphenyl]phthalide
CasNumber: 36499-49-7
MolecularFormula: C29H30N2O2
MolecularWeight: 438.5607
MdlNumber: MFCD08276348
Smiles: CCN(c1ccc(c(c1)C)C1(OC(=O)c2c1cccc2)c1c(C)n(c2c1cccc2)C)CC
Complexity: 708
Covalently-bondedUnitCount: 1
HeavyAtomCount: 33
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: 5
Xlogp3: 6.2
CatalogNumber:
AB44386
ChemicalName:
3-(1,2-Dimethyl-3-indolyl)-3-[4-(diethylamino)-2-methylphenyl]phthalide
CasNumber:
36499-49-7
MolecularFormula:
C29H30N2O2
MolecularWeight:
438.5607
MdlNumber:
MFCD08276348
Smiles:
CCN(c1ccc(c(c1)C)C1(OC(=O)c2c1cccc2)c1c(C)n(c2c1cccc2)C)CC
Complexity:
708
Covalently-bondedUnitCount:
1
HeavyAtomCount:
33
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
5
Xlogp3:
6.2
CatalogNumber: AB44387
ChemicalName: 3-[4-(tert-Butoxycarbonyl)piperazin-1-yl]phenylboronic acid pinacol ester
CasNumber: 540752-87-2
MolecularFormula: C21H33BN2O4
MolecularWeight: 388.3087
MdlNumber: MFCD07781212
Smiles: O=C(N1CCN(CC1)c1cccc(c1)B1OC(C(O1)(C)C)(C)C)OC(C)(C)C
Complexity: 551
Covalently-bondedUnitCount: 1
HeavyAtomCount: 28
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: __
RotatableBondCount: 4
Xlogp3: __
CatalogNumber:
AB44387
ChemicalName:
3-[4-(tert-Butoxycarbonyl)piperazin-1-yl]phenylboronic acid pinacol ester
CasNumber:
540752-87-2
MolecularFormula:
C21H33BN2O4
MolecularWeight:
388.3087
MdlNumber:
MFCD07781212
Smiles:
O=C(N1CCN(CC1)c1cccc(c1)B1OC(C(O1)(C)C)(C)C)OC(C)(C)C
Complexity:
551
Covalently-bondedUnitCount:
1
HeavyAtomCount:
28
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
__
RotatableBondCount:
4
Xlogp3:
__
CatalogNumber: AB44388
ChemicalName: 1-(3-Bromo-4-methoxyphenyl)ethanone
CasNumber: 35310-75-9
MolecularFormula: C9H9BrO2
MolecularWeight: 229.0706
MdlNumber: MFCD01812494
Smiles: COc1ccc(cc1Br)C(=O)C
Complexity: 170
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: __
RotatableBondCount: 2
Xlogp3: 2.3
CatalogNumber:
AB44388
ChemicalName:
1-(3-Bromo-4-methoxyphenyl)ethanone
CasNumber:
35310-75-9
MolecularFormula:
C9H9BrO2
MolecularWeight:
229.0706
MdlNumber:
MFCD01812494
Smiles:
COc1ccc(cc1Br)C(=O)C
Complexity:
170
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
RotatableBondCount:
2
Xlogp3:
2.3