AA74694
149506-93-4 | 4'-Cyanobiphenyl-3-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AA74694
ChemicalName
4'-Cyanobiphenyl-3-carboxylic acid
CasNumber
149506-93-4
MolecularFormula
C14H9NO2
MolecularWeight
223.2268
MdlNumber
MFCD04117352
Smiles
N#Cc1ccc(cc1)c1cccc(c1)C(=O)O
Complexity
322
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
3.4
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CatalogNumber: AA74694
ChemicalName: 4'-Cyanobiphenyl-3-carboxylic acid
CasNumber: 149506-93-4
MolecularFormula: C14H9NO2
MolecularWeight: 223.2268
MdlNumber: MFCD04117352
Smiles: N#Cc1ccc(cc1)c1cccc(c1)C(=O)O
Complexity: 322
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 3.4
CatalogNumber:
AA74694
ChemicalName:
4'-Cyanobiphenyl-3-carboxylic acid
CasNumber:
149506-93-4
MolecularFormula:
C14H9NO2
MolecularWeight:
223.2268
MdlNumber:
MFCD04117352
Smiles:
N#Cc1ccc(cc1)c1cccc(c1)C(=O)O
Complexity:
322
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
3.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O[C@@H]1CC[C@H](CC1)N(Cc1ccccc1)Cc1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O[C@@H]1CC[C@H](CC1)N(Cc1ccccc1)Cc1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AA74696
ChemicalName: 4-(Dibenzylamino)cyclohexanone
CasNumber: 149506-79-6
MolecularFormula: C20H23NO
MolecularWeight: 293.4027200000001
MdlNumber: MFCD16659682
Smiles: O=C1CCC(CC1)N(Cc1ccccc1)Cc1ccccc1
Complexity: 312
Covalently-bondedUnitCount: 1
HeavyAtomCount: 22
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: __
RotatableBondCount: 5
Xlogp3: 3.5
CatalogNumber:
AA74696
ChemicalName:
4-(Dibenzylamino)cyclohexanone
CasNumber:
149506-79-6
MolecularFormula:
C20H23NO
MolecularWeight:
293.4027200000001
MdlNumber:
MFCD16659682
Smiles:
O=C1CCC(CC1)N(Cc1ccccc1)Cc1ccccc1
Complexity:
312
Covalently-bondedUnitCount:
1
HeavyAtomCount:
22
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
RotatableBondCount:
5
Xlogp3:
3.5
CatalogNumber: AA74697
ChemicalName: 1,3-Dimethyl 2-(4-bromophenyl)propanedioate
CasNumber: 149506-35-4
MolecularFormula: C11H11BrO4
MolecularWeight: 287.1066
MdlNumber: MFCD06204131
Smiles: COC(=O)C(c1ccc(cc1)Br)C(=O)OC
Complexity: 243
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: __
RotatableBondCount: 5
Xlogp3: 2.5
CatalogNumber:
AA74697
ChemicalName:
1,3-Dimethyl 2-(4-bromophenyl)propanedioate
CasNumber:
149506-35-4
MolecularFormula:
C11H11BrO4
MolecularWeight:
287.1066
MdlNumber:
MFCD06204131
Smiles:
COC(=O)C(c1ccc(cc1)Br)C(=O)OC
Complexity:
243
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
__
RotatableBondCount:
5
Xlogp3:
2.5