AA47894
13275-42-8 | 2-(2-Bromophenyl)-1h-1,3-benzodiazole
Manufacturer: A2B Chem
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CatalogNumber
AA47894
ChemicalName
2-(2-Bromophenyl)-1h-1,3-benzodiazole
CasNumber
13275-42-8
MolecularFormula
C13H9BrN2
MolecularWeight
273.128
MdlNumber
MFCD00449969
Smiles
Brc1ccccc1c1nc2c([nH]1)cccc2
NscNumber
128738
Complexity
246
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
1
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
3.9
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CatalogNumber: AA47894
ChemicalName: 2-(2-Bromophenyl)-1h-1,3-benzodiazole
CasNumber: 13275-42-8
MolecularFormula: C13H9BrN2
MolecularWeight: 273.128
MdlNumber: MFCD00449969
Smiles: Brc1ccccc1c1nc2c([nH]1)cccc2
NscNumber: 128738
Complexity: 246
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 3.9
CatalogNumber:
AA47894
ChemicalName:
2-(2-Bromophenyl)-1h-1,3-benzodiazole
CasNumber:
13275-42-8
MolecularFormula:
C13H9BrN2
MolecularWeight:
273.128
MdlNumber:
MFCD00449969
Smiles:
Brc1ccccc1c1nc2c([nH]1)cccc2
NscNumber:
128738
Complexity:
246
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
3.9
CatalogNumber: AA47895
ChemicalName: Ethyl 2-cyclohexyl-2-oxoacetate
CasNumber: 13275-31-5
MolecularFormula: C10H16O3
MolecularWeight: 184.2322
MdlNumber: MFCD09055348
Smiles: CCOC(=O)C(=O)C1CCCCC1
NscNumber: __
Complexity: 192
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: 4
Xlogp3: 2.4
CatalogNumber:
AA47895
ChemicalName:
Ethyl 2-cyclohexyl-2-oxoacetate
CasNumber:
13275-31-5
MolecularFormula:
C10H16O3
MolecularWeight:
184.2322
MdlNumber:
MFCD09055348
Smiles:
CCOC(=O)C(=O)C1CCCCC1
NscNumber:
__
Complexity:
192
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
4
Xlogp3:
2.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(CP(=S)(CC(CC(C)(C)C)C)O)CC(C)(C)C
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(CP(=S)(CC(CC(C)(C)C)C)O)CC(C)(C)C
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: N#CCCSc1sc(=S)sc1SCCC#N
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
N#CCCSc1sc(=S)sc1SCCC#N
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__