AB48085
845885-90-7 | 4-Fluoro-3-formylbenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AB48085
ChemicalName
4-Fluoro-3-formylbenzoic acid
CasNumber
845885-90-7
MolecularFormula
C8H5FO3
MolecularWeight
168.1219
MdlNumber
MFCD06411555
Smiles
O=Cc1cc(ccc1F)C(=O)O
Complexity
193
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
1
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CatalogNumber: AB48085
ChemicalName: 4-Fluoro-3-formylbenzoic acid
CasNumber: 845885-90-7
MolecularFormula: C8H5FO3
MolecularWeight: 168.1219
MdlNumber: MFCD06411555
Smiles: O=Cc1cc(ccc1F)C(=O)O
Complexity: 193
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 1
CatalogNumber:
AB48085
ChemicalName:
4-Fluoro-3-formylbenzoic acid
CasNumber:
845885-90-7
MolecularFormula:
C8H5FO3
MolecularWeight:
168.1219
MdlNumber:
MFCD06411555
Smiles:
O=Cc1cc(ccc1F)C(=O)O
Complexity:
193
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
1
CatalogNumber: AB48086
ChemicalName: 4-(N-Methylamino)phenylboronic acid, pinacol ester
CasNumber: 845870-55-5
MolecularFormula: C13H20BNO2
MolecularWeight: 233.1144
MdlNumber: MFCD06795668
Smiles: CNc1ccc(cc1)B1OC(C(O1)(C)C)(C)C
Complexity: 257
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: __
CatalogNumber:
AB48086
ChemicalName:
4-(N-Methylamino)phenylboronic acid, pinacol ester
CasNumber:
845870-55-5
MolecularFormula:
C13H20BNO2
MolecularWeight:
233.1144
MdlNumber:
MFCD06795668
Smiles:
CNc1ccc(cc1)B1OC(C(O1)(C)C)(C)C
Complexity:
257
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
__
CatalogNumber: AB48087
ChemicalName: 4-(3-(Dimethylamino)propylcarbamoyl)phenylboronic acid, pinacol ester
CasNumber: 832114-10-0
MolecularFormula: C18H29BN2O3
MolecularWeight: 332.2455
MdlNumber: MFCD05864306
Smiles: CN(CCCNC(=O)c1ccc(cc1)B1OC(C(O1)(C)C)(C)C)C
Complexity: 416
Covalently-bondedUnitCount: 1
HeavyAtomCount: 24
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 6
Xlogp3: __
CatalogNumber:
AB48087
ChemicalName:
4-(3-(Dimethylamino)propylcarbamoyl)phenylboronic acid, pinacol ester
CasNumber:
832114-10-0
MolecularFormula:
C18H29BN2O3
MolecularWeight:
332.2455
MdlNumber:
MFCD05864306
Smiles:
CN(CCCNC(=O)c1ccc(cc1)B1OC(C(O1)(C)C)(C)C)C
Complexity:
416
Covalently-bondedUnitCount:
1
HeavyAtomCount:
24
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
6
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1nccc(c1N)C(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1nccc(c1N)C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__