AB49976
193290-80-1 | 3-Fluoro-4-formylbenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AB49976
ChemicalName
3-Fluoro-4-formylbenzoic acid
CasNumber
193290-80-1
MolecularFormula
C8H5FO3
MolecularWeight
168.1219
MdlNumber
MFCD20483546
Smiles
O=Cc1ccc(cc1F)C(=O)O
Complexity
193
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
1
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CatalogNumber: AB49976
ChemicalName: 3-Fluoro-4-formylbenzoic acid
CasNumber: 193290-80-1
MolecularFormula: C8H5FO3
MolecularWeight: 168.1219
MdlNumber: MFCD20483546
Smiles: O=Cc1ccc(cc1F)C(=O)O
Complexity: 193
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 1
CatalogNumber:
AB49976
ChemicalName:
3-Fluoro-4-formylbenzoic acid
CasNumber:
193290-80-1
MolecularFormula:
C8H5FO3
MolecularWeight:
168.1219
MdlNumber:
MFCD20483546
Smiles:
O=Cc1ccc(cc1F)C(=O)O
Complexity:
193
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
1
CatalogNumber: AB49977
ChemicalName: 3'-Hydroxypropiophenone
CasNumber: 13103-80-5
MolecularFormula: C9H10O2
MolecularWeight: 150.1745
MdlNumber: MFCD03428514
Smiles: CCC(=O)c1cccc(c1)O
Complexity: 143
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 1.9
CatalogNumber:
AB49977
ChemicalName:
3'-Hydroxypropiophenone
CasNumber:
13103-80-5
MolecularFormula:
C9H10O2
MolecularWeight:
150.1745
MdlNumber:
MFCD03428514
Smiles:
CCC(=O)c1cccc(c1)O
Complexity:
143
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
1.9
CatalogNumber: AB49978
ChemicalName: Diphenyl malonate
CasNumber: 1969-44-4
MolecularFormula: C15H12O4
MolecularWeight: 256.2534
MdlNumber: MFCD00437604
Smiles: O=C(Oc1ccccc1)CC(=O)Oc1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
AB49978
ChemicalName:
Diphenyl malonate
CasNumber:
1969-44-4
MolecularFormula:
C15H12O4
MolecularWeight:
256.2534
MdlNumber:
MFCD00437604
Smiles:
O=C(Oc1ccccc1)CC(=O)Oc1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(C(F)(F)F)N
Complexity: 57.7
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 0.8
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(C(F)(F)F)N
Complexity:
57.7
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
0.8