AG18120
5001-94-5 | [4-(3-Chlorophenyl)phenyl]acetic acid
Manufacturer: A2B Chem
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CatalogNumber
AG18120
ChemicalName
[4-(3-Chlorophenyl)phenyl]acetic acid
CasNumber
5001-94-5
MolecularFormula
C14H11ClO2
MolecularWeight
246.6889
MdlNumber
MFCD03426503
Smiles
OC(=O)Cc1ccc(cc1)c1cccc(c1)Cl
Complexity
259
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
3.7
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CatalogNumber: AG18120
ChemicalName: [4-(3-Chlorophenyl)phenyl]acetic acid
CasNumber: 5001-94-5
MolecularFormula: C14H11ClO2
MolecularWeight: 246.6889
MdlNumber: MFCD03426503
Smiles: OC(=O)Cc1ccc(cc1)c1cccc(c1)Cl
Complexity: 259
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 3.7
CatalogNumber:
AG18120
ChemicalName:
[4-(3-Chlorophenyl)phenyl]acetic acid
CasNumber:
5001-94-5
MolecularFormula:
C14H11ClO2
MolecularWeight:
246.6889
MdlNumber:
MFCD03426503
Smiles:
OC(=O)Cc1ccc(cc1)c1cccc(c1)Cl
Complexity:
259
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
3.7
CatalogNumber: AG18121
ChemicalName: 5H,10H-Diimidazo[1,5-a:1',5'-d]pyrazine-5,10-dione
CasNumber: 53525-65-8
MolecularFormula: C8H4N4O2
MolecularWeight: 188.143
MdlNumber: MFCD01631199
Smiles: O=c1c2cncn2c(=O)c2n1cnc2
Complexity: 276
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: -0.1
CatalogNumber:
AG18121
ChemicalName:
5H,10H-Diimidazo[1,5-a:1',5'-d]pyrazine-5,10-dione
CasNumber:
53525-65-8
MolecularFormula:
C8H4N4O2
MolecularWeight:
188.143
MdlNumber:
MFCD01631199
Smiles:
O=c1c2cncn2c(=O)c2n1cnc2
Complexity:
276
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
-0.1
CatalogNumber: AG18122
ChemicalName: 5-(Chloromethyl)-3-(3-chlorophenyl)-1,2,4-oxadiazole
CasNumber: 51802-78-9
MolecularFormula: C9H6Cl2N2O
MolecularWeight: 229.06273999999996
MdlNumber: MFCD07310999
Smiles: ClCc1onc(n1)c1cccc(c1)Cl
Complexity: 194
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: 2
Xlogp3: 2.9
CatalogNumber:
AG18122
ChemicalName:
5-(Chloromethyl)-3-(3-chlorophenyl)-1,2,4-oxadiazole
CasNumber:
51802-78-9
MolecularFormula:
C9H6Cl2N2O
MolecularWeight:
229.06273999999996
MdlNumber:
MFCD07310999
Smiles:
ClCc1onc(n1)c1cccc(c1)Cl
Complexity:
194
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
2
Xlogp3:
2.9
CatalogNumber: AG18123
ChemicalName: 3-Methylpiperidin-4-one, HCl
CasNumber: 4629-78-1
MolecularFormula: C6H12ClNO
MolecularWeight: 149.6186
MdlNumber: MFCD07369967
Smiles: O=C1CCNCC1C.Cl
Complexity: 101
Covalently-bondedUnitCount: 2
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 2
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
AG18123
ChemicalName:
3-Methylpiperidin-4-one, HCl
CasNumber:
4629-78-1
MolecularFormula:
C6H12ClNO
MolecularWeight:
149.6186
MdlNumber:
MFCD07369967
Smiles:
O=C1CCNCC1C.Cl
Complexity:
101
Covalently-bondedUnitCount:
2
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
2
RotatableBondCount:
__
Xlogp3:
__