AB44247
6340-79-0 | 3-(4-Bromobenzoyl)propionic acid
Manufacturer: A2B Chem
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CatalogNumber
AB44247
ChemicalName
3-(4-Bromobenzoyl)propionic acid
CasNumber
6340-79-0
MolecularFormula
C10H9BrO3
MolecularWeight
257.0807
MdlNumber
MFCD00016563
Smiles
O=C(c1ccc(cc1)Br)CCC(=O)O
NscNumber
51068
Complexity
219
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
4
Xlogp3
2.1
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CatalogNumber: AB44247
ChemicalName: 3-(4-Bromobenzoyl)propionic acid
CasNumber: 6340-79-0
MolecularFormula: C10H9BrO3
MolecularWeight: 257.0807
MdlNumber: MFCD00016563
Smiles: O=C(c1ccc(cc1)Br)CCC(=O)O
NscNumber: 51068
Complexity: 219
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 2.1
CatalogNumber:
AB44247
ChemicalName:
3-(4-Bromobenzoyl)propionic acid
CasNumber:
6340-79-0
MolecularFormula:
C10H9BrO3
MolecularWeight:
257.0807
MdlNumber:
MFCD00016563
Smiles:
O=C(c1ccc(cc1)Br)CCC(=O)O
NscNumber:
51068
Complexity:
219
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
2.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C1CC(C1)c1ccc(cc1)Br
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C1CC(C1)c1ccc(cc1)Br
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB44249
ChemicalName: 3-(4-Fluorophenyl)propanoic acid
CasNumber: 459-31-4
MolecularFormula: C9H9FO2
MolecularWeight: 168.165
MdlNumber: MFCD00060327
Smiles: OC(=O)CCc1ccc(cc1)F
NscNumber: 403021
Complexity: 151
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 1.6
CatalogNumber:
AB44249
ChemicalName:
3-(4-Fluorophenyl)propanoic acid
CasNumber:
459-31-4
MolecularFormula:
C9H9FO2
MolecularWeight:
168.165
MdlNumber:
MFCD00060327
Smiles:
OC(=O)CCc1ccc(cc1)F
NscNumber:
403021
Complexity:
151
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
1.6
CatalogNumber: AB44250
ChemicalName: 3-(4-Hydroxy-3-methoxyphenyl)propionic acid
CasNumber: 1135-23-5
MolecularFormula: C10H12O4
MolecularWeight: 196.1999
MdlNumber: MFCD00016558
Smiles: COc1cc(CCC(=O)O)ccc1O
NscNumber: __
Complexity: 193
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 4
Xlogp3: 0.7
CatalogNumber:
AB44250
ChemicalName:
3-(4-Hydroxy-3-methoxyphenyl)propionic acid
CasNumber:
1135-23-5
MolecularFormula:
C10H12O4
MolecularWeight:
196.1999
MdlNumber:
MFCD00016558
Smiles:
COc1cc(CCC(=O)O)ccc1O
NscNumber:
__
Complexity:
193
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
4
Xlogp3:
0.7