AG19774
453565-90-7 | 3-Bromo-5-trifluoromethoxybenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AG19774
ChemicalName
3-Bromo-5-trifluoromethoxybenzoic acid
CasNumber
453565-90-7
MolecularFormula
C8H4BrF3O3
MolecularWeight
285.0148
MdlNumber
MFCD04116041
Smiles
Brc1cc(cc(c1)C(=O)O)OC(F)(F)F
Complexity
244
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
3.3
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CatalogNumber: AG19774
ChemicalName: 3-Bromo-5-trifluoromethoxybenzoic acid
CasNumber: 453565-90-7
MolecularFormula: C8H4BrF3O3
MolecularWeight: 285.0148
MdlNumber: MFCD04116041
Smiles: Brc1cc(cc(c1)C(=O)O)OC(F)(F)F
Complexity: 244
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 3.3
CatalogNumber:
AG19774
ChemicalName:
3-Bromo-5-trifluoromethoxybenzoic acid
CasNumber:
453565-90-7
MolecularFormula:
C8H4BrF3O3
MolecularWeight:
285.0148
MdlNumber:
MFCD04116041
Smiles:
Brc1cc(cc(c1)C(=O)O)OC(F)(F)F
Complexity:
244
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
3.3
CatalogNumber: AG19775
ChemicalName: 3-Fluoro-4-formylphenylboronic acid pinacol ester
CasNumber: 503176-50-9
MolecularFormula: C13H16BFO3
MolecularWeight: 250.0737
MdlNumber: MFCD16036135
Smiles: O=Cc1ccc(cc1F)B1OC(C(O1)(C)C)(C)C
Complexity: 316
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: __
RotatableBondCount: 2
Xlogp3: __
CatalogNumber:
AG19775
ChemicalName:
3-Fluoro-4-formylphenylboronic acid pinacol ester
CasNumber:
503176-50-9
MolecularFormula:
C13H16BFO3
MolecularWeight:
250.0737
MdlNumber:
MFCD16036135
Smiles:
O=Cc1ccc(cc1F)B1OC(C(O1)(C)C)(C)C
Complexity:
316
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
__
RotatableBondCount:
2
Xlogp3:
__
CatalogNumber: AG19776
ChemicalName: 4-(4-BOC-Piperazino)phenylboronic acid
CasNumber: 457613-78-4
MolecularFormula: C15H23BN2O4
MolecularWeight: 306.1651
MdlNumber: MFCD10696663
Smiles: OB(c1ccc(cc1)N1CCN(CC1)C(=O)OC(C)(C)C)O
Complexity: 370
Covalently-bondedUnitCount: 1
HeavyAtomCount: 22
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 4
Xlogp3: __
CatalogNumber:
AG19776
ChemicalName:
4-(4-BOC-Piperazino)phenylboronic acid
CasNumber:
457613-78-4
MolecularFormula:
C15H23BN2O4
MolecularWeight:
306.1651
MdlNumber:
MFCD10696663
Smiles:
OB(c1ccc(cc1)N1CCN(CC1)C(=O)OC(C)(C)C)O
Complexity:
370
Covalently-bondedUnitCount:
1
HeavyAtomCount:
22
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
4
Xlogp3:
__
CatalogNumber: AG19777
ChemicalName: 4-(Boc-Amino)-3-methylphenylboronic acid, pinacol ester
CasNumber: 508223-54-9
MolecularFormula: C18H28BNO4
MolecularWeight: 333.2302199999999
MdlNumber: MFCD17214290
Smiles: O=C(OC(C)(C)C)Nc1ccc(cc1C)B1OC(C(O1)(C)C)(C)C
Complexity: 456
Covalently-bondedUnitCount: 1
HeavyAtomCount: 24
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: __
CatalogNumber:
AG19777
ChemicalName:
4-(Boc-Amino)-3-methylphenylboronic acid, pinacol ester
CasNumber:
508223-54-9
MolecularFormula:
C18H28BNO4
MolecularWeight:
333.2302199999999
MdlNumber:
MFCD17214290
Smiles:
O=C(OC(C)(C)C)Nc1ccc(cc1C)B1OC(C(O1)(C)C)(C)C
Complexity:
456
Covalently-bondedUnitCount:
1
HeavyAtomCount:
24
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
__