AI40761
1820703-59-0 | 3-Chloro-2-(methylsulfanyl)-5-nitrobenzonitrile
Manufacturer: A2B Chem
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CatalogNumber
AI40761
ChemicalName
3-Chloro-2-(methylsulfanyl)-5-nitrobenzonitrile
CasNumber
1820703-59-0
MolecularFormula
C8H5ClN2O2S
MolecularWeight
228.6555
MdlNumber
MFCD28096659
Smiles
N#Cc1cc(cc(c1SC)Cl)[N+](=O)[O-]
Complexity
272
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
4
RotatableBondCount
1
Xlogp3
2.6
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CatalogNumber: AI40761
ChemicalName: 3-Chloro-2-(methylsulfanyl)-5-nitrobenzonitrile
CasNumber: 1820703-59-0
MolecularFormula: C8H5ClN2O2S
MolecularWeight: 228.6555
MdlNumber: MFCD28096659
Smiles: N#Cc1cc(cc(c1SC)Cl)[N+](=O)[O-]
Complexity: 272
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
RotatableBondCount: 1
Xlogp3: 2.6
CatalogNumber:
AI40761
ChemicalName:
3-Chloro-2-(methylsulfanyl)-5-nitrobenzonitrile
CasNumber:
1820703-59-0
MolecularFormula:
C8H5ClN2O2S
MolecularWeight:
228.6555
MdlNumber:
MFCD28096659
Smiles:
N#Cc1cc(cc(c1SC)Cl)[N+](=O)[O-]
Complexity:
272
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
RotatableBondCount:
1
Xlogp3:
2.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)Cc1cccc(c1)c1ccc(cc1)C(=O)N(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)Cc1cccc(c1)c1ccc(cc1)C(=O)N(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)c1ccccc1c1ccc(cc1)SC
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)c1ccccc1c1ccc(cc1)SC
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(Nc1ccccc1Br)Cc1ccccc1Br
Complexity: 285
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 4.1
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(Nc1ccccc1Br)Cc1ccccc1Br
Complexity:
285
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
4.1