AF36749
222986-49-4 | Methyl 4-(6-aminopyridin-3-yl)benzoate
Manufacturer: A2B Chem
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CatalogNumber
AF36749
ChemicalName
Methyl 4-(6-aminopyridin-3-yl)benzoate
CasNumber
222986-49-4
MolecularFormula
C13H12N2O2
MolecularWeight
228.2466
MdlNumber
MFCD06802149
Smiles
COC(=O)c1ccc(cc1)c1ccc(nc1)N
Complexity
262
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
2
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CatalogNumber: AF36749
ChemicalName: Methyl 4-(6-aminopyridin-3-yl)benzoate
CasNumber: 222986-49-4
MolecularFormula: C13H12N2O2
MolecularWeight: 228.2466
MdlNumber: MFCD06802149
Smiles: COC(=O)c1ccc(cc1)c1ccc(nc1)N
Complexity: 262
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 2
CatalogNumber:
AF36749
ChemicalName:
Methyl 4-(6-aminopyridin-3-yl)benzoate
CasNumber:
222986-49-4
MolecularFormula:
C13H12N2O2
MolecularWeight:
228.2466
MdlNumber:
MFCD06802149
Smiles:
COC(=O)c1ccc(cc1)c1ccc(nc1)N
Complexity:
262
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AF36750
ChemicalName: 5-Methylsulfonyltetrazole
CasNumber: 21744-55-8
MolecularFormula: C2H4N4O2S
MolecularWeight: 148.1438
MdlNumber: MFCD07432800
Smiles: CS(=O)(=O)c1nnn[nH]1
Complexity: 181
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: -1
CatalogNumber:
AF36750
ChemicalName:
5-Methylsulfonyltetrazole
CasNumber:
21744-55-8
MolecularFormula:
C2H4N4O2S
MolecularWeight:
148.1438
MdlNumber:
MFCD07432800
Smiles:
CS(=O)(=O)c1nnn[nH]1
Complexity:
181
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
-1
CatalogNumber: AF36751
ChemicalName: 3-(3-Chloro-4-methylphenyl)benzonitrile
CasNumber: 253679-13-9
MolecularFormula: C14H10ClN
MolecularWeight: 227.6889
MdlNumber: MFCD20529478
Smiles: N#Cc1cccc(c1)c1ccc(c(c1)Cl)C
Complexity: 280
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: __
RotatableBondCount: 1
Xlogp3: 4.3
CatalogNumber:
AF36751
ChemicalName:
3-(3-Chloro-4-methylphenyl)benzonitrile
CasNumber:
253679-13-9
MolecularFormula:
C14H10ClN
MolecularWeight:
227.6889
MdlNumber:
MFCD20529478
Smiles:
N#Cc1cccc(c1)c1ccc(c(c1)Cl)C
Complexity:
280
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
__
RotatableBondCount:
1
Xlogp3:
4.3