AA65392
147111-30-6 | 2-(4-Bromophenyl)ethanethioamide
Manufacturer: A2B Chem
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CatalogNumber
AA65392
ChemicalName
2-(4-Bromophenyl)ethanethioamide
CasNumber
147111-30-6
MolecularFormula
C8H8BrNS
MolecularWeight
230.1248
MdlNumber
MFCD09809469
Smiles
NC(=S)Cc1ccc(cc1)Br
Complexity
141
Covalently-bondedUnitCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
1
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
2.3
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CatalogNumber: AA65392
ChemicalName: 2-(4-Bromophenyl)ethanethioamide
CasNumber: 147111-30-6
MolecularFormula: C8H8BrNS
MolecularWeight: 230.1248
MdlNumber: MFCD09809469
Smiles: NC(=S)Cc1ccc(cc1)Br
Complexity: 141
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.3
CatalogNumber:
AA65392
ChemicalName:
2-(4-Bromophenyl)ethanethioamide
CasNumber:
147111-30-6
MolecularFormula:
C8H8BrNS
MolecularWeight:
230.1248
MdlNumber:
MFCD09809469
Smiles:
NC(=S)Cc1ccc(cc1)Br
Complexity:
141
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC[C@H]1O[C@H](Oc2ccc(cc2)[N+](=O)[O-])[C@@H]([C@H]([C@@H]1O)O)O[C@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC[C@H]1O[C@H](Oc2ccc(cc2)[N+](=O)[O-])[C@@H]([C@H]([C@@H]1O)O)O[C@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AA65398
ChemicalName: 1-Chloronaphthalene-4-boronic acid
CasNumber: 147102-97-4
MolecularFormula: C10H8BClO2
MolecularWeight: 206.4333
MdlNumber: MFCD18411295
Smiles: OB(c1ccc(c2c1cccc2)Cl)O
Complexity: 201
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 2
RotatableBondCount: 1
Xlogp3: __
CatalogNumber:
AA65398
ChemicalName:
1-Chloronaphthalene-4-boronic acid
CasNumber:
147102-97-4
MolecularFormula:
C10H8BClO2
MolecularWeight:
206.4333
MdlNumber:
MFCD18411295
Smiles:
OB(c1ccc(c2c1cccc2)Cl)O
Complexity:
201
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
2
RotatableBondCount:
1
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Clc1ccc(c(c1)Cl)Oc1c(Cl)cccc1Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Clc1ccc(c(c1)Cl)Oc1c(Cl)cccc1Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__