AB47727
120740-08-1 | 2-Chloro-5-aminomethylthiazole
Manufacturer: A2B Chem
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CatalogNumber
AB47727
ChemicalName
2-Chloro-5-aminomethylthiazole
CasNumber
120740-08-1
MolecularFormula
C4H5ClN2S
MolecularWeight
148.6139
MdlNumber
MFCD08705904
Smiles
NCc1cnc(s1)Cl
Complexity
80.4
Covalently-bondedUnitCount
1
HeavyAtomCount
8
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
0.8
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CatalogNumber: AB47727
ChemicalName: 2-Chloro-5-aminomethylthiazole
CasNumber: 120740-08-1
MolecularFormula: C4H5ClN2S
MolecularWeight: 148.6139
MdlNumber: MFCD08705904
Smiles: NCc1cnc(s1)Cl
Complexity: 80.4
Covalently-bondedUnitCount: 1
HeavyAtomCount: 8
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 0.8
CatalogNumber:
AB47727
ChemicalName:
2-Chloro-5-aminomethylthiazole
CasNumber:
120740-08-1
MolecularFormula:
C4H5ClN2S
MolecularWeight:
148.6139
MdlNumber:
MFCD08705904
Smiles:
NCc1cnc(s1)Cl
Complexity:
80.4
Covalently-bondedUnitCount:
1
HeavyAtomCount:
8
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
0.8
CatalogNumber: AB47728
ChemicalName: 3-(3-Hydroxyphenyl)-2-oxopropanoic acid
CasNumber: 4607-41-4
MolecularFormula: C9H8O4
MolecularWeight: 180.1574
MdlNumber: MFCD09742286
Smiles: Oc1cccc(c1)CC(=O)C(=O)O
Complexity: 212
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 3
Xlogp3: 0.7
CatalogNumber:
AB47728
ChemicalName:
3-(3-Hydroxyphenyl)-2-oxopropanoic acid
CasNumber:
4607-41-4
MolecularFormula:
C9H8O4
MolecularWeight:
180.1574
MdlNumber:
MFCD09742286
Smiles:
Oc1cccc(c1)CC(=O)C(=O)O
Complexity:
212
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
3
Xlogp3:
0.7
CatalogNumber: AB47729
ChemicalName: 4-(Trifluoromethyl)phthalic acid
CasNumber: 835-58-5
MolecularFormula: C9H5F3O4
MolecularWeight: 234.1288
MdlNumber: MFCD00671572
Smiles: OC(=O)c1cc(ccc1C(=O)O)C(F)(F)F
Complexity: 300
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: 1.9
CatalogNumber:
AB47729
ChemicalName:
4-(Trifluoromethyl)phthalic acid
CasNumber:
835-58-5
MolecularFormula:
C9H5F3O4
MolecularWeight:
234.1288
MdlNumber:
MFCD00671572
Smiles:
OC(=O)c1cc(ccc1C(=O)O)C(F)(F)F
Complexity:
300
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
1.9
CatalogNumber: AB47730
ChemicalName: 5-Bromo-2-(trifluoromethyl)pyrimidine
CasNumber: 799557-86-1
MolecularFormula: C5H2BrF3N2
MolecularWeight: 226.982
MdlNumber: MFCD09754046
Smiles: FC(c1ncc(cn1)Br)(F)F
Complexity: 130
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 1.8
CatalogNumber:
AB47730
ChemicalName:
5-Bromo-2-(trifluoromethyl)pyrimidine
CasNumber:
799557-86-1
MolecularFormula:
C5H2BrF3N2
MolecularWeight:
226.982
MdlNumber:
MFCD09754046
Smiles:
FC(c1ncc(cn1)Br)(F)F
Complexity:
130
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
1.8