AF00665
15463-92-0 | Dimethyl 2-phenylbutanedioate
Manufacturer: A2B Chem
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CatalogNumber
AF00665
ChemicalName
Dimethyl 2-phenylbutanedioate
CasNumber
15463-92-0
MolecularFormula
C12H14O4
MolecularWeight
222.2372
MdlNumber
MFCD17779914
Smiles
COC(=O)C(c1ccccc1)CC(=O)OC
Complexity
243
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
4
RotatableBondCount
6
UndefinedAtomStereocenterCount
1
Xlogp3
1.6
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CatalogNumber: AF00665
ChemicalName: Dimethyl 2-phenylbutanedioate
CasNumber: 15463-92-0
MolecularFormula: C12H14O4
MolecularWeight: 222.2372
MdlNumber: MFCD17779914
Smiles: COC(=O)C(c1ccccc1)CC(=O)OC
Complexity: 243
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 4
RotatableBondCount: 6
UndefinedAtomStereocenterCount: 1
Xlogp3: 1.6
CatalogNumber:
AF00665
ChemicalName:
Dimethyl 2-phenylbutanedioate
CasNumber:
15463-92-0
MolecularFormula:
C12H14O4
MolecularWeight:
222.2372
MdlNumber:
MFCD17779914
Smiles:
COC(=O)C(c1ccccc1)CC(=O)OC
Complexity:
243
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
4
RotatableBondCount:
6
UndefinedAtomStereocenterCount:
1
Xlogp3:
1.6
CatalogNumber: AF00666
ChemicalName: 2-Ethanesulfony)nicotinonitrile
CasNumber: 1437794-55-2
MolecularFormula: C8H8N2O2S
MolecularWeight: 196.2263
MdlNumber: MFCD24448799
Smiles: N#Cc1cccnc1S(=O)(=O)CC
Complexity: 309
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
RotatableBondCount: 2
UndefinedAtomStereocenterCount: __
Xlogp3: 0.5
CatalogNumber:
AF00666
ChemicalName:
2-Ethanesulfony)nicotinonitrile
CasNumber:
1437794-55-2
MolecularFormula:
C8H8N2O2S
MolecularWeight:
196.2263
MdlNumber:
MFCD24448799
Smiles:
N#Cc1cccnc1S(=O)(=O)CC
Complexity:
309
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
__
Xlogp3:
0.5
CatalogNumber: AF00667
ChemicalName: 4-(3-Fluoro-5-nitrophenyl)benzoic acid
CasNumber: 1437794-79-0
MolecularFormula: C13H8FNO4
MolecularWeight: 261.2053
MdlNumber: MFCD24448853
Smiles: Fc1cc(cc(c1)[N+](=O)[O-])c1ccc(cc1)C(=O)O
Complexity: 349
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 5
RotatableBondCount: 2
UndefinedAtomStereocenterCount: __
Xlogp3: 3
CatalogNumber:
AF00667
ChemicalName:
4-(3-Fluoro-5-nitrophenyl)benzoic acid
CasNumber:
1437794-79-0
MolecularFormula:
C13H8FNO4
MolecularWeight:
261.2053
MdlNumber:
MFCD24448853
Smiles:
Fc1cc(cc(c1)[N+](=O)[O-])c1ccc(cc1)C(=O)O
Complexity:
349
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
5
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
__
Xlogp3:
3
CatalogNumber: AF00668
ChemicalName: 2-Fluoro-5-phenylbenzoic acid
CasNumber: 146328-84-9
MolecularFormula: C13H9FO2
MolecularWeight: 216.2078
MdlNumber: MFCD09042321
Smiles: OC(=O)c1cc(ccc1F)c1ccccc1
Complexity: 248
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 3
RotatableBondCount: 2
UndefinedAtomStereocenterCount: __
Xlogp3: 3.4
CatalogNumber:
AF00668
ChemicalName:
2-Fluoro-5-phenylbenzoic acid
CasNumber:
146328-84-9
MolecularFormula:
C13H9FO2
MolecularWeight:
216.2078
MdlNumber:
MFCD09042321
Smiles:
OC(=O)c1cc(ccc1F)c1ccccc1
Complexity:
248
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
3
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
__
Xlogp3:
3.4