AB49009
59020-44-9 | 4-Phenyl-1,3-thiazole-2-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AB49009
ChemicalName
4-Phenyl-1,3-thiazole-2-carboxylic acid
CasNumber
59020-44-9
MolecularFormula
C10H7NO2S
MolecularWeight
205.2331
MdlNumber
MFCD00990415
Smiles
OC(=O)c1scc(n1)c1ccccc1
Complexity
216
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
2.5
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CatalogNumber: AB49009
ChemicalName: 4-Phenyl-1,3-thiazole-2-carboxylic acid
CasNumber: 59020-44-9
MolecularFormula: C10H7NO2S
MolecularWeight: 205.2331
MdlNumber: MFCD00990415
Smiles: OC(=O)c1scc(n1)c1ccccc1
Complexity: 216
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.5
CatalogNumber:
AB49009
ChemicalName:
4-Phenyl-1,3-thiazole-2-carboxylic acid
CasNumber:
59020-44-9
MolecularFormula:
C10H7NO2S
MolecularWeight:
205.2331
MdlNumber:
MFCD00990415
Smiles:
OC(=O)c1scc(n1)c1ccccc1
Complexity:
216
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OCCC(c1cccc(c1)Cl)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OCCC(c1cccc(c1)Cl)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB49011
ChemicalName: 1,6-Dichloro-isoquinoline
CasNumber: 630421-73-7
MolecularFormula: C9H5Cl2N
MolecularWeight: 198.0487
MdlNumber: MFCD06738660
Smiles: Clc1ccc2c(c1)ccnc2Cl
Complexity: 163
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 3.7
CatalogNumber:
AB49011
ChemicalName:
1,6-Dichloro-isoquinoline
CasNumber:
630421-73-7
MolecularFormula:
C9H5Cl2N
MolecularWeight:
198.0487
MdlNumber:
MFCD06738660
Smiles:
Clc1ccc2c(c1)ccnc2Cl
Complexity:
163
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
3.7
CatalogNumber: AB49012
ChemicalName: 3-Bromo-2-hydroxymethylpyridine
CasNumber: 52378-64-0
MolecularFormula: C6H6BrNO
MolecularWeight: 188.0219
MdlNumber: MFCD03095348
Smiles: OCc1ncccc1Br
Complexity: 89.1
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 0.7
CatalogNumber:
AB49012
ChemicalName:
3-Bromo-2-hydroxymethylpyridine
CasNumber:
52378-64-0
MolecularFormula:
C6H6BrNO
MolecularWeight:
188.0219
MdlNumber:
MFCD03095348
Smiles:
OCc1ncccc1Br
Complexity:
89.1
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
0.7