AH84451
89900-92-5 | Methyl 4-(3-cyanophenyl)benzoate
Manufacturer: A2B Chem
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CatalogNumber
AH84451
ChemicalName
Methyl 4-(3-cyanophenyl)benzoate
CasNumber
89900-92-5
MolecularFormula
C15H11NO2
MolecularWeight
237.2533
MdlNumber
MFCD05981877
Smiles
COC(=O)c1ccc(cc1)c1cccc(c1)C#N
Complexity
336
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
3
RotatableBondCount
3
Xlogp3
3.1
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CatalogNumber: AH84451
ChemicalName: Methyl 4-(3-cyanophenyl)benzoate
CasNumber: 89900-92-5
MolecularFormula: C15H11NO2
MolecularWeight: 237.2533
MdlNumber: MFCD05981877
Smiles: COC(=O)c1ccc(cc1)c1cccc(c1)C#N
Complexity: 336
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 3
RotatableBondCount: 3
Xlogp3: 3.1
CatalogNumber:
AH84451
ChemicalName:
Methyl 4-(3-cyanophenyl)benzoate
CasNumber:
89900-92-5
MolecularFormula:
C15H11NO2
MolecularWeight:
237.2533
MdlNumber:
MFCD05981877
Smiles:
COC(=O)c1ccc(cc1)c1cccc(c1)C#N
Complexity:
336
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
3
RotatableBondCount:
3
Xlogp3:
3.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(c1c([2H])c([2H])c(c(c1[2H])[2H])[2H])O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(c1c([2H])c([2H])c(c(c1[2H])[2H])[2H])O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AH84453
ChemicalName: 3-Bromodiphenylamine
CasNumber: 88280-58-4
MolecularFormula: C12H10BrN
MolecularWeight: 248.1185
MdlNumber: MFCD07369780
Smiles: Brc1cccc(c1)Nc1ccccc1
Complexity: 166
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 1
RotatableBondCount: 2
Xlogp3: 4.2
CatalogNumber:
AH84453
ChemicalName:
3-Bromodiphenylamine
CasNumber:
88280-58-4
MolecularFormula:
C12H10BrN
MolecularWeight:
248.1185
MdlNumber:
MFCD07369780
Smiles:
Brc1cccc(c1)Nc1ccccc1
Complexity:
166
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
1
RotatableBondCount:
2
Xlogp3:
4.2
CatalogNumber: AH84455
ChemicalName: 2-Amino-3-bromo-4-methyl-5-nitropyridine
CasNumber: 929976-32-9
MolecularFormula: C6H6BrN3O2
MolecularWeight: 232.03473999999997
MdlNumber: MFCD03427659
Smiles: [O-][N+](=O)c1cnc(c(c1C)Br)N
Complexity: 184
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 4
RotatableBondCount: __
Xlogp3: 1.4
CatalogNumber:
AH84455
ChemicalName:
2-Amino-3-bromo-4-methyl-5-nitropyridine
CasNumber:
929976-32-9
MolecularFormula:
C6H6BrN3O2
MolecularWeight:
232.03473999999997
MdlNumber:
MFCD03427659
Smiles:
[O-][N+](=O)c1cnc(c(c1C)Br)N
Complexity:
184
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
4
RotatableBondCount:
__
Xlogp3:
1.4