AB49474
58089-25-1 | 2-Mercapto-5-benzimidazolecarboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AB49474
ChemicalName
2-Mercapto-5-benzimidazolecarboxylic acid
CasNumber
58089-25-1
MolecularFormula
C8H6N2O2S
MolecularWeight
194.2104
MdlNumber
MFCD01318607
Smiles
OC(=O)c1ccc2c(c1)[nH]c(=S)[nH]2
Complexity
257
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
3
RotatableBondCount
1
Xlogp3
0.7
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CatalogNumber: AB49474
ChemicalName: 2-Mercapto-5-benzimidazolecarboxylic acid
CasNumber: 58089-25-1
MolecularFormula: C8H6N2O2S
MolecularWeight: 194.2104
MdlNumber: MFCD01318607
Smiles: OC(=O)c1ccc2c(c1)[nH]c(=S)[nH]2
Complexity: 257
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 3
RotatableBondCount: 1
Xlogp3: 0.7
CatalogNumber:
AB49474
ChemicalName:
2-Mercapto-5-benzimidazolecarboxylic acid
CasNumber:
58089-25-1
MolecularFormula:
C8H6N2O2S
MolecularWeight:
194.2104
MdlNumber:
MFCD01318607
Smiles:
OC(=O)c1ccc2c(c1)[nH]c(=S)[nH]2
Complexity:
257
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
3
RotatableBondCount:
1
Xlogp3:
0.7
CatalogNumber: AB49475
ChemicalName: Ethyl 5-amino-2-chloropyrimidine-4-carboxylate
CasNumber: 59950-50-4
MolecularFormula: C7H8ClN3O2
MolecularWeight: 201.6103
MdlNumber: MFCD18533495
Smiles: CCOC(=O)c1nc(Cl)ncc1N
Complexity: 191
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 1.6
CatalogNumber:
AB49475
ChemicalName:
Ethyl 5-amino-2-chloropyrimidine-4-carboxylate
CasNumber:
59950-50-4
MolecularFormula:
C7H8ClN3O2
MolecularWeight:
201.6103
MdlNumber:
MFCD18533495
Smiles:
CCOC(=O)c1nc(Cl)ncc1N
Complexity:
191
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
1.6
CatalogNumber: AB49476
ChemicalName: tert-Butyl 7-bromo-3,4-dihydroisoquinoline-2(1H)-carboxylate
CasNumber: 258515-65-0
MolecularFormula: C14H18BrNO2
MolecularWeight: 312.2022
MdlNumber: MFCD08752229
Smiles: Brc1ccc2c(c1)CN(CC2)C(=O)OC(C)(C)C
Complexity: 313
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: __
RotatableBondCount: 2
Xlogp3: 3.3
CatalogNumber:
AB49476
ChemicalName:
tert-Butyl 7-bromo-3,4-dihydroisoquinoline-2(1H)-carboxylate
CasNumber:
258515-65-0
MolecularFormula:
C14H18BrNO2
MolecularWeight:
312.2022
MdlNumber:
MFCD08752229
Smiles:
Brc1ccc2c(c1)CN(CC2)C(=O)OC(C)(C)C
Complexity:
313
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
RotatableBondCount:
2
Xlogp3:
3.3
CatalogNumber: AB49477
ChemicalName: 2-Chloro-6-iodopyridine
CasNumber: 258506-66-0
MolecularFormula: C5H3ClIN
MolecularWeight: 239.4415
MdlNumber: MFCD07784182
Smiles: Clc1cccc(n1)I
Complexity: 78.8
Covalently-bondedUnitCount: 1
HeavyAtomCount: 8
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2.4
CatalogNumber:
AB49477
ChemicalName:
2-Chloro-6-iodopyridine
CasNumber:
258506-66-0
MolecularFormula:
C5H3ClIN
MolecularWeight:
239.4415
MdlNumber:
MFCD07784182
Smiles:
Clc1cccc(n1)I
Complexity:
78.8
Covalently-bondedUnitCount:
1
HeavyAtomCount:
8
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2.4