AG19756
5097-86-9 | 4-(4-Chlorophenyl)-1H-1,2,4-triazol-5(4H)-one
Manufacturer: A2B Chem
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CatalogNumber
AG19756
ChemicalName
4-(4-Chlorophenyl)-1H-1,2,4-triazol-5(4H)-one
CasNumber
5097-86-9
MolecularFormula
C8H6ClN3O
MolecularWeight
195.6057
MdlNumber
MFCD11053882
Smiles
Clc1ccc(cc1)n1cn[nH]c1=O
Complexity
236
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
1.6
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CatalogNumber: AG19756
ChemicalName: 4-(4-Chlorophenyl)-1H-1,2,4-triazol-5(4H)-one
CasNumber: 5097-86-9
MolecularFormula: C8H6ClN3O
MolecularWeight: 195.6057
MdlNumber: MFCD11053882
Smiles: Clc1ccc(cc1)n1cn[nH]c1=O
Complexity: 236
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 1.6
CatalogNumber:
AG19756
ChemicalName:
4-(4-Chlorophenyl)-1H-1,2,4-triazol-5(4H)-one
CasNumber:
5097-86-9
MolecularFormula:
C8H6ClN3O
MolecularWeight:
195.6057
MdlNumber:
MFCD11053882
Smiles:
Clc1ccc(cc1)n1cn[nH]c1=O
Complexity:
236
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
1.6
CatalogNumber: AG19757
ChemicalName: 3-Bromo-4-fluorobenzamide
CasNumber: 455-85-6
MolecularFormula: C7H5BrFNO
MolecularWeight: 218.02310319999995
MdlNumber: MFCD03094431
Smiles: NC(=O)c1ccc(c(c1)Br)F
Complexity: 165
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 1.6
CatalogNumber:
AG19757
ChemicalName:
3-Bromo-4-fluorobenzamide
CasNumber:
455-85-6
MolecularFormula:
C7H5BrFNO
MolecularWeight:
218.02310319999995
MdlNumber:
MFCD03094431
Smiles:
NC(=O)c1ccc(c(c1)Br)F
Complexity:
165
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
1.6
CatalogNumber: AG19758
ChemicalName: Ethyl 7-hydroxypyrazolo[1,5-a]pyrimidine-6-carboxylate
CasNumber: 43024-61-9
MolecularFormula: C9H9N3O3
MolecularWeight: 207.1861
MdlNumber: MFCD00973857
Smiles: CCOC(=O)c1cnc2n(c1O)ncc2
Complexity: 409
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 0.1
CatalogNumber:
AG19758
ChemicalName:
Ethyl 7-hydroxypyrazolo[1,5-a]pyrimidine-6-carboxylate
CasNumber:
43024-61-9
MolecularFormula:
C9H9N3O3
MolecularWeight:
207.1861
MdlNumber:
MFCD00973857
Smiles:
CCOC(=O)c1cnc2n(c1O)ncc2
Complexity:
409
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
0.1
CatalogNumber: AG19759
ChemicalName: 5-Amino-6-bromoquinoline
CasNumber: 50358-39-9
MolecularFormula: C9H7BrN2
MolecularWeight: 223.0693
MdlNumber: MFCD11110424
Smiles: Brc1ccc2c(c1N)cccn2
Complexity: 163
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: __
Xlogp3: 1.9
CatalogNumber:
AG19759
ChemicalName:
5-Amino-6-bromoquinoline
CasNumber:
50358-39-9
MolecularFormula:
C9H7BrN2
MolecularWeight:
223.0693
MdlNumber:
MFCD11110424
Smiles:
Brc1ccc2c(c1N)cccn2
Complexity:
163
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
__
Xlogp3:
1.9