AG30813
51891-85-1 | 4-(1H-Pyrazol-1-yl)benzenesulfonamide
Manufacturer: A2B Chem
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CatalogNumber
AG30813
ChemicalName
4-(1H-Pyrazol-1-yl)benzenesulfonamide
CasNumber
51891-85-1
MolecularFormula
C9H9N3O2S
MolecularWeight
223.25166000000002
MdlNumber
MFCD11504936
Smiles
NS(=O)(=O)c1ccc(cc1)n1cccn1
Complexity
304
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
0.8
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CatalogNumber: AG30813
ChemicalName: 4-(1H-Pyrazol-1-yl)benzenesulfonamide
CasNumber: 51891-85-1
MolecularFormula: C9H9N3O2S
MolecularWeight: 223.25166000000002
MdlNumber: MFCD11504936
Smiles: NS(=O)(=O)c1ccc(cc1)n1cccn1
Complexity: 304
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 0.8
CatalogNumber:
AG30813
ChemicalName:
4-(1H-Pyrazol-1-yl)benzenesulfonamide
CasNumber:
51891-85-1
MolecularFormula:
C9H9N3O2S
MolecularWeight:
223.25166000000002
MdlNumber:
MFCD11504936
Smiles:
NS(=O)(=O)c1ccc(cc1)n1cccn1
Complexity:
304
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
0.8
CatalogNumber: AG30814
ChemicalName: Methyl 4-hydroxypicolinate
CasNumber: 473269-77-1
MolecularFormula: C7H7NO3
MolecularWeight: 153.1354
MdlNumber: MFCD12025998
Smiles: COC(=O)c1cc(O)ccn1
Complexity: 252
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 0.2
CatalogNumber:
AG30814
ChemicalName:
Methyl 4-hydroxypicolinate
CasNumber:
473269-77-1
MolecularFormula:
C7H7NO3
MolecularWeight:
153.1354
MdlNumber:
MFCD12025998
Smiles:
COC(=O)c1cc(O)ccn1
Complexity:
252
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
0.2
CatalogNumber: AG30815
ChemicalName: 2-(4-Chlorophenyl)-2,2-difluoroacetic acid
CasNumber: 475301-73-6
MolecularFormula: C8H5ClF2O2
MolecularWeight: 206.5739064
MdlNumber: MFCD11007727
Smiles: OC(=O)C(c1ccc(cc1)Cl)(F)F
Complexity: 200
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.8
CatalogNumber:
AG30815
ChemicalName:
2-(4-Chlorophenyl)-2,2-difluoroacetic acid
CasNumber:
475301-73-6
MolecularFormula:
C8H5ClF2O2
MolecularWeight:
206.5739064
MdlNumber:
MFCD11007727
Smiles:
OC(=O)C(c1ccc(cc1)Cl)(F)F
Complexity:
200
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.8
CatalogNumber: AG30816
ChemicalName: 4-Bromo-2-isopropoxy-1-methoxybenzene
CasNumber: 462092-23-5
MolecularFormula: C10H13BrO2
MolecularWeight: 245.113
MdlNumber: MFCD10699696
Smiles: COc1ccc(cc1OC(C)C)Br
Complexity: 150
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: __
RotatableBondCount: 3
Xlogp3: 3.6
CatalogNumber:
AG30816
ChemicalName:
4-Bromo-2-isopropoxy-1-methoxybenzene
CasNumber:
462092-23-5
MolecularFormula:
C10H13BrO2
MolecularWeight:
245.113
MdlNumber:
MFCD10699696
Smiles:
COc1ccc(cc1OC(C)C)Br
Complexity:
150
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
RotatableBondCount:
3
Xlogp3:
3.6