AB49560
3855-95-6 | 2-Chloro-1,3-benzothiazole-6-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AB49560
ChemicalName
2-Chloro-1,3-benzothiazole-6-carboxylic acid
CasNumber
3855-95-6
MolecularFormula
C8H4ClNO2S
MolecularWeight
213.6409
MdlNumber
MFCD08689736
Smiles
Clc1nc2c(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: AB49560
ChemicalName: 2-Chloro-1,3-benzothiazole-6-carboxylic acid
CasNumber: 3855-95-6
MolecularFormula: C8H4ClNO2S
MolecularWeight: 213.6409
MdlNumber: MFCD08689736
Smiles: Clc1nc2c(s1)cc(cc2)C(=O)O
Complexity: 226
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 3.1
CatalogNumber:
AB49560
ChemicalName:
2-Chloro-1,3-benzothiazole-6-carboxylic acid
CasNumber:
3855-95-6
MolecularFormula:
C8H4ClNO2S
MolecularWeight:
213.6409
MdlNumber:
MFCD08689736
Smiles:
Clc1nc2c(s1)cc(cc2)C(=O)O
Complexity:
226
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
3.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C#CC(C(=O)O)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C#CC(C(=O)O)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB49562
ChemicalName: 6-Amino-1,3-benzoxazol-2(3h)-one
CasNumber: 22876-17-1
MolecularFormula: C7H6N2O2
MolecularWeight: 150.1347
MdlNumber: MFCD00463899
Smiles: Nc1ccc2c(c1)oc(=O)[nH]2
Complexity: 183
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: __
Xlogp3: 0.5
CatalogNumber:
AB49562
ChemicalName:
6-Amino-1,3-benzoxazol-2(3h)-one
CasNumber:
22876-17-1
MolecularFormula:
C7H6N2O2
MolecularWeight:
150.1347
MdlNumber:
MFCD00463899
Smiles:
Nc1ccc2c(c1)oc(=O)[nH]2
Complexity:
183
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
__
Xlogp3:
0.5
CatalogNumber: AB49563
ChemicalName: 5-Bromo-4-methyl-3-nitro-2(1H)-pyridinone
CasNumber: 228410-90-0
MolecularFormula: C6H5BrN2O3
MolecularWeight: 233.0195
MdlNumber: MFCD06659520
Smiles: [O-][N+](=O)c1c(=O)[nH]cc(c1C)Br
Complexity: 313
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: __
Xlogp3: 0.6
CatalogNumber:
AB49563
ChemicalName:
5-Bromo-4-methyl-3-nitro-2(1H)-pyridinone
CasNumber:
228410-90-0
MolecularFormula:
C6H5BrN2O3
MolecularWeight:
233.0195
MdlNumber:
MFCD06659520
Smiles:
[O-][N+](=O)c1c(=O)[nH]cc(c1C)Br
Complexity:
313
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
__
Xlogp3:
0.6