AB50683
80945-83-1 | 2-Chlorobenzothiazole-6-carbonitrile
Manufacturer: A2B Chem
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CatalogNumber
AB50683
ChemicalName
2-Chlorobenzothiazole-6-carbonitrile
CasNumber
80945-83-1
MolecularFormula
C8H3ClN2S
MolecularWeight
194.6408
MdlNumber
MFCD09743933
Smiles
N#Cc1ccc2c(c1)sc(n2)Cl
Complexity
224
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
3
Xlogp3
3.3
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CatalogNumber: AB50683
ChemicalName: 2-Chlorobenzothiazole-6-carbonitrile
CasNumber: 80945-83-1
MolecularFormula: C8H3ClN2S
MolecularWeight: 194.6408
MdlNumber: MFCD09743933
Smiles: N#Cc1ccc2c(c1)sc(n2)Cl
Complexity: 224
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
Xlogp3: 3.3
CatalogNumber:
AB50683
ChemicalName:
2-Chlorobenzothiazole-6-carbonitrile
CasNumber:
80945-83-1
MolecularFormula:
C8H3ClN2S
MolecularWeight:
194.6408
MdlNumber:
MFCD09743933
Smiles:
N#Cc1ccc2c(c1)sc(n2)Cl
Complexity:
224
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
Xlogp3:
3.3
CatalogNumber: AB50684
ChemicalName: Trans-1-benzyl-4-phenylpyrrolidine-3-carboxylic acid
CasNumber: 80896-73-7
MolecularFormula: C18H19NO2
MolecularWeight: 281.349
MdlNumber: MFCD11845475
Smiles: OC(=O)[C@@H]1CN(C[C@H]1c1ccccc1)Cc1ccccc1
Complexity: 345
Covalently-bondedUnitCount: 1
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 3
Xlogp3: 0.5
CatalogNumber:
AB50684
ChemicalName:
Trans-1-benzyl-4-phenylpyrrolidine-3-carboxylic acid
CasNumber:
80896-73-7
MolecularFormula:
C18H19NO2
MolecularWeight:
281.349
MdlNumber:
MFCD11845475
Smiles:
OC(=O)[C@@H]1CN(C[C@H]1c1ccccc1)Cc1ccccc1
Complexity:
345
Covalently-bondedUnitCount:
1
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
3
Xlogp3:
0.5
CatalogNumber: AB50685
ChemicalName: 2-Chloro-4-fluoro-3-methylbenzonitrile
CasNumber: 796600-15-2
MolecularFormula: C8H5ClFN
MolecularWeight: 169.5834
MdlNumber: MFCD13193544
Smiles: N#Cc1ccc(c(c1Cl)C)F
Complexity: 186
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 2
Xlogp3: 2.7
CatalogNumber:
AB50685
ChemicalName:
2-Chloro-4-fluoro-3-methylbenzonitrile
CasNumber:
796600-15-2
MolecularFormula:
C8H5ClFN
MolecularWeight:
169.5834
MdlNumber:
MFCD13193544
Smiles:
N#Cc1ccc(c(c1Cl)C)F
Complexity:
186
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
2
Xlogp3:
2.7
CatalogNumber: AB50686
ChemicalName: 4-Hydroxy-2,5-dimethylhexan-3-one
CasNumber: 815-77-0
MolecularFormula: C8H16O2
MolecularWeight: 144.2114
MdlNumber: MFCD00008920
Smiles: CC(C(=O)C(C(C)C)O)C
Complexity: 116
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 2
Xlogp3: 1.7
CatalogNumber:
AB50686
ChemicalName:
4-Hydroxy-2,5-dimethylhexan-3-one
CasNumber:
815-77-0
MolecularFormula:
C8H16O2
MolecularWeight:
144.2114
MdlNumber:
MFCD00008920
Smiles:
CC(C(=O)C(C(C)C)O)C
Complexity:
116
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
2
Xlogp3:
1.7