AA01821
1003048-71-2 | 3-(2-Bromo-5-fluorophenyl)propanoic acid
Manufacturer: A2B Chem
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CatalogNumber
AA01821
ChemicalName
3-(2-Bromo-5-fluorophenyl)propanoic acid
CasNumber
1003048-71-2
MolecularFormula
C9H8BrFO2
MolecularWeight
247.061
MdlNumber
MFCD11036290
Smiles
OC(=O)CCc1cc(F)ccc1Br
Complexity
187
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
2.5
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CatalogNumber: AA01821
ChemicalName: 3-(2-Bromo-5-fluorophenyl)propanoic acid
CasNumber: 1003048-71-2
MolecularFormula: C9H8BrFO2
MolecularWeight: 247.061
MdlNumber: MFCD11036290
Smiles: OC(=O)CCc1cc(F)ccc1Br
Complexity: 187
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 2.5
CatalogNumber:
AA01821
ChemicalName:
3-(2-Bromo-5-fluorophenyl)propanoic acid
CasNumber:
1003048-71-2
MolecularFormula:
C9H8BrFO2
MolecularWeight:
247.061
MdlNumber:
MFCD11036290
Smiles:
OC(=O)CCc1cc(F)ccc1Br
Complexity:
187
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
2.5
CatalogNumber: AA01822
ChemicalName: 7-(Trifluoromethyl)-2,3-dihydro-1h-inden-1-one
CasNumber: 1003048-68-7
MolecularFormula: C10H7F3O
MolecularWeight: 200.15718959999995
MdlNumber: MFCD11040251
Smiles: O=C1CCc2c1c(ccc2)C(F)(F)F
Complexity: 246
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2.5
CatalogNumber:
AA01822
ChemicalName:
7-(Trifluoromethyl)-2,3-dihydro-1h-inden-1-one
CasNumber:
1003048-68-7
MolecularFormula:
C10H7F3O
MolecularWeight:
200.15718959999995
MdlNumber:
MFCD11040251
Smiles:
O=C1CCc2c1c(ccc2)C(F)(F)F
Complexity:
246
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2.5
CatalogNumber: AA01823
ChemicalName: 2-(4-(tert-Butoxycarbonyl)piperazin-1-yl)pyridin-4-ylboronic acid
CasNumber: 1003043-73-9
MolecularFormula: C14H22BN3O4
MolecularWeight: 307.1532
MdlNumber: MFCD18261480
Smiles: OB(c1ccnc(c1)N1CCN(CC1)C(=O)OC(C)(C)C)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
AA01823
ChemicalName:
2-(4-(tert-Butoxycarbonyl)piperazin-1-yl)pyridin-4-ylboronic acid
CasNumber:
1003043-73-9
MolecularFormula:
C14H22BN3O4
MolecularWeight:
307.1532
MdlNumber:
MFCD18261480
Smiles:
OB(c1ccnc(c1)N1CCN(CC1)C(=O)OC(C)(C)C)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AA01824
ChemicalName: 2-Piperazinopyridine-5-boronic acid
CasNumber: 1003043-67-1
MolecularFormula: C9H14BN3O2
MolecularWeight: 207.0374
MdlNumber: MFCD11975410
Smiles: OB(c1ccc(nc1)N1CCNCC1)O
Complexity: 200
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 3
RotatableBondCount: 2
Xlogp3: __
CatalogNumber:
AA01824
ChemicalName:
2-Piperazinopyridine-5-boronic acid
CasNumber:
1003043-67-1
MolecularFormula:
C9H14BN3O2
MolecularWeight:
207.0374
MdlNumber:
MFCD11975410
Smiles:
OB(c1ccc(nc1)N1CCNCC1)O
Complexity:
200
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
3
RotatableBondCount:
2
Xlogp3:
__