AH13634
68867-17-4 | Benzothiazole-5-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AH13634
ChemicalName
Benzothiazole-5-carboxylic acid
CasNumber
68867-17-4
MolecularFormula
C8H5NO2S
MolecularWeight
179.1958
MdlNumber
MFCD06796380
Smiles
OC(=O)c1ccc2c(c1)ncs2
Complexity
198
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
1.5
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CatalogNumber: AH13634
ChemicalName: Benzothiazole-5-carboxylic acid
CasNumber: 68867-17-4
MolecularFormula: C8H5NO2S
MolecularWeight: 179.1958
MdlNumber: MFCD06796380
Smiles: OC(=O)c1ccc2c(c1)ncs2
Complexity: 198
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 1.5
CatalogNumber:
AH13634
ChemicalName:
Benzothiazole-5-carboxylic acid
CasNumber:
68867-17-4
MolecularFormula:
C8H5NO2S
MolecularWeight:
179.1958
MdlNumber:
MFCD06796380
Smiles:
OC(=O)c1ccc2c(c1)ncs2
Complexity:
198
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
1.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: ClS(=O)(=O)c1ccccn1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
ClS(=O)(=O)c1ccccn1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AH13636
ChemicalName: 4-Bromo-2,6-dimethylbenzoic acid
CasNumber: 74346-19-3
MolecularFormula: C9H9BrO2
MolecularWeight: 229.0706
MdlNumber: MFCD09965997
Smiles: OC(=O)c1c(C)cc(cc1C)Br
Complexity: 169
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 2.9
CatalogNumber:
AH13636
ChemicalName:
4-Bromo-2,6-dimethylbenzoic acid
CasNumber:
74346-19-3
MolecularFormula:
C9H9BrO2
MolecularWeight:
229.0706
MdlNumber:
MFCD09965997
Smiles:
OC(=O)c1c(C)cc(cc1C)Br
Complexity:
169
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
2.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: N#Cc1nccc(c1)C(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
N#Cc1nccc(c1)C(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__