AB01850
179057-10-4 | Methyl 4-(1H-pyrazol-3-yl)benzoate
Manufacturer: A2B Chem
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CatalogNumber
AB01850
ChemicalName
Methyl 4-(1H-pyrazol-3-yl)benzoate
CasNumber
179057-10-4
MolecularFormula
C11H10N2O2
MolecularWeight
202.2093
MdlNumber
MFCD11226146
Smiles
COC(=O)c1ccc(cc1)c1cc[nH]n1
Complexity
225
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
1.7
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CatalogNumber: AB01850
ChemicalName: Methyl 4-(1H-pyrazol-3-yl)benzoate
CasNumber: 179057-10-4
MolecularFormula: C11H10N2O2
MolecularWeight: 202.2093
MdlNumber: MFCD11226146
Smiles: COC(=O)c1ccc(cc1)c1cc[nH]n1
Complexity: 225
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 1.7
CatalogNumber:
AB01850
ChemicalName:
Methyl 4-(1H-pyrazol-3-yl)benzoate
CasNumber:
179057-10-4
MolecularFormula:
C11H10N2O2
MolecularWeight:
202.2093
MdlNumber:
MFCD11226146
Smiles:
COC(=O)c1ccc(cc1)c1cc[nH]n1
Complexity:
225
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
1.7
CatalogNumber: AB01851
ChemicalName: 2,4-Dichloro-6-methylpyridin-3-amine
CasNumber: 179056-98-5
MolecularFormula: C6H6Cl2N2
MolecularWeight: 177.0312
MdlNumber: MFCD07774093
Smiles: Cc1cc(Cl)c(c(n1)Cl)N
Complexity: 120
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: __
Xlogp3: 2.2
CatalogNumber:
AB01851
ChemicalName:
2,4-Dichloro-6-methylpyridin-3-amine
CasNumber:
179056-98-5
MolecularFormula:
C6H6Cl2N2
MolecularWeight:
177.0312
MdlNumber:
MFCD07774093
Smiles:
Cc1cc(Cl)c(c(n1)Cl)N
Complexity:
120
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
__
Xlogp3:
2.2
CatalogNumber: AB01852
ChemicalName: 2-Chloro-4-methoxy-6-methyl-3-nitropyridine
CasNumber: 179056-94-1
MolecularFormula: C7H7ClN2O3
MolecularWeight: 202.59508
MdlNumber: MFCD20040427
Smiles: COc1cc(C)nc(c1[N+](=O)[O-])Cl
Complexity: 197
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: __
RotatableBondCount: 1
Xlogp3: 2
CatalogNumber:
AB01852
ChemicalName:
2-Chloro-4-methoxy-6-methyl-3-nitropyridine
CasNumber:
179056-94-1
MolecularFormula:
C7H7ClN2O3
MolecularWeight:
202.59508
MdlNumber:
MFCD20040427
Smiles:
COc1cc(C)nc(c1[N+](=O)[O-])Cl
Complexity:
197
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
__
RotatableBondCount:
1
Xlogp3:
2
CatalogNumber: AB01853
ChemicalName: 4-(5-Methyl-1,3,4-oxadiazol-2-yl)benzaldehyde
CasNumber: 179056-82-7
MolecularFormula: C10H8N2O2
MolecularWeight: 188.1827
MdlNumber: MFCD11109323
Smiles: O=Cc1ccc(cc1)c1nnc(o1)C
Complexity: 202
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: __
RotatableBondCount: 2
Xlogp3: 1.3
CatalogNumber:
AB01853
ChemicalName:
4-(5-Methyl-1,3,4-oxadiazol-2-yl)benzaldehyde
CasNumber:
179056-82-7
MolecularFormula:
C10H8N2O2
MolecularWeight:
188.1827
MdlNumber:
MFCD11109323
Smiles:
O=Cc1ccc(cc1)c1nnc(o1)C
Complexity:
202
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
__
RotatableBondCount:
2
Xlogp3:
1.3