AB49799
25629-58-7 | 5-Chloroisothiazol-3-ol
Manufacturer: A2B Chem
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CatalogNumber
AB49799
ChemicalName
5-Chloroisothiazol-3-ol
CasNumber
25629-58-7
MolecularFormula
C3H2ClNOS
MolecularWeight
135.5721
MdlNumber
MFCD16658894
Smiles
Clc1cc(=O)[nH]s1
Complexity
133
Covalently-bondedUnitCount
1
HeavyAtomCount
7
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
Xlogp3
0.7
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CatalogNumber: AB49799
ChemicalName: 5-Chloroisothiazol-3-ol
CasNumber: 25629-58-7
MolecularFormula: C3H2ClNOS
MolecularWeight: 135.5721
MdlNumber: MFCD16658894
Smiles: Clc1cc(=O)[nH]s1
Complexity: 133
Covalently-bondedUnitCount: 1
HeavyAtomCount: 7
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
Xlogp3: 0.7
CatalogNumber:
AB49799
ChemicalName:
5-Chloroisothiazol-3-ol
CasNumber:
25629-58-7
MolecularFormula:
C3H2ClNOS
MolecularWeight:
135.5721
MdlNumber:
MFCD16658894
Smiles:
Clc1cc(=O)[nH]s1
Complexity:
133
Covalently-bondedUnitCount:
1
HeavyAtomCount:
7
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
Xlogp3:
0.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Fc1ccc(cc1)c1cnc(cn1)Br
Complexity: 183
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
Xlogp3: 2.6
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Fc1ccc(cc1)c1cnc(cn1)Br
Complexity:
183
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
Xlogp3:
2.6
CatalogNumber: AB49801
ChemicalName: 5-Ethynylpyrimidine
CasNumber: 153286-94-3
MolecularFormula: C6H4N2
MolecularWeight: 104.1094
MdlNumber: MFCD01936255
Smiles: C#Cc1cncnc1
Complexity: 105
Covalently-bondedUnitCount: 1
HeavyAtomCount: 8
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: __
Xlogp3: -0.1
CatalogNumber:
AB49801
ChemicalName:
5-Ethynylpyrimidine
CasNumber:
153286-94-3
MolecularFormula:
C6H4N2
MolecularWeight:
104.1094
MdlNumber:
MFCD01936255
Smiles:
C#Cc1cncnc1
Complexity:
105
Covalently-bondedUnitCount:
1
HeavyAtomCount:
8
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
Xlogp3:
-0.1
CatalogNumber: AB49802
ChemicalName: 2,4-Bis(trifluoromethyl)phenylboronic acid
CasNumber: 153254-09-2
MolecularFormula: C8H5BF6O2
MolecularWeight: 257.9255
MdlNumber: MFCD01631349
Smiles: OB(c1ccc(cc1C(F)(F)F)C(F)(F)F)O
Complexity: 264
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 8
HydrogenBondDonorCount: 2
Xlogp3: __
CatalogNumber:
AB49802
ChemicalName:
2,4-Bis(trifluoromethyl)phenylboronic acid
CasNumber:
153254-09-2
MolecularFormula:
C8H5BF6O2
MolecularWeight:
257.9255
MdlNumber:
MFCD01631349
Smiles:
OB(c1ccc(cc1C(F)(F)F)C(F)(F)F)O
Complexity:
264
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
8
HydrogenBondDonorCount:
2
Xlogp3:
__