AD58003
22514-58-5 | 2-Bromo-6-benzothiazolecarboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AD58003
ChemicalName
2-Bromo-6-benzothiazolecarboxylic acid
CasNumber
22514-58-5
MolecularFormula
C8H4BrNO2S
MolecularWeight
258.09186
MdlNumber
MFCD09266217
Smiles
Brc1nc2c(s1)cc(cc2)C(=O)O
Complexity
226
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
3.1
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CatalogNumber: AD58003
ChemicalName: 2-Bromo-6-benzothiazolecarboxylic acid
CasNumber: 22514-58-5
MolecularFormula: C8H4BrNO2S
MolecularWeight: 258.09186
MdlNumber: MFCD09266217
Smiles: Brc1nc2c(s1)cc(cc2)C(=O)O
Complexity: 226
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 3.1
CatalogNumber:
AD58003
ChemicalName:
2-Bromo-6-benzothiazolecarboxylic acid
CasNumber:
22514-58-5
MolecularFormula:
C8H4BrNO2S
MolecularWeight:
258.09186
MdlNumber:
MFCD09266217
Smiles:
Brc1nc2c(s1)cc(cc2)C(=O)O
Complexity:
226
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
3.1
CatalogNumber: AD58006
ChemicalName: 4-Aminophenylsuccinic acid
CasNumber: 22511-21-3
MolecularFormula: C10H11NO4
MolecularWeight: 209.1986
MdlNumber: MFCD00051533
Smiles: OC(=O)C(c1ccc(cc1)N)CC(=O)O
Complexity: 246
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 3
RotatableBondCount: 4
Xlogp3: 0.2
CatalogNumber:
AD58006
ChemicalName:
4-Aminophenylsuccinic acid
CasNumber:
22511-21-3
MolecularFormula:
C10H11NO4
MolecularWeight:
209.1986
MdlNumber:
MFCD00051533
Smiles:
OC(=O)C(c1ccc(cc1)N)CC(=O)O
Complexity:
246
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
3
RotatableBondCount:
4
Xlogp3:
0.2
CatalogNumber: AD58007
ChemicalName: 3-Chloro-2,6-difluorobenzoic acid
CasNumber: 225104-76-7
MolecularFormula: C7H3ClF2O2
MolecularWeight: 192.5473
MdlNumber: MFCD01631322
Smiles: OC(=O)c1c(F)ccc(c1F)Cl
Complexity: 188
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 2.2
CatalogNumber:
AD58007
ChemicalName:
3-Chloro-2,6-difluorobenzoic acid
CasNumber:
225104-76-7
MolecularFormula:
C7H3ClF2O2
MolecularWeight:
192.5473
MdlNumber:
MFCD01631322
Smiles:
OC(=O)c1c(F)ccc(c1F)Cl
Complexity:
188
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
2.2
CatalogNumber: __
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MolecularFormula: __
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Smiles: OC(=O)CCS.OC(=O)CCS.OCCO
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
OC(=O)CCS.OC(=O)CCS.OCCO
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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