AI33325
1379371-43-3 | 3-Bromo-4-(methylsulfanyl)benzonitrile
Manufacturer: A2B Chem
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CatalogNumber
AI33325
ChemicalName
3-Bromo-4-(methylsulfanyl)benzonitrile
CasNumber
1379371-43-3
MolecularFormula
C8H6BrNS
MolecularWeight
228.1089
MdlNumber
MFCD18378500
Smiles
N#Cc1ccc(c(c1)Br)SC
Complexity
174
Covalently-bondedUnitCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
2
RotatableBondCount
1
Xlogp3
2.8
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CatalogNumber: AI33325
ChemicalName: 3-Bromo-4-(methylsulfanyl)benzonitrile
CasNumber: 1379371-43-3
MolecularFormula: C8H6BrNS
MolecularWeight: 228.1089
MdlNumber: MFCD18378500
Smiles: N#Cc1ccc(c(c1)Br)SC
Complexity: 174
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 2
RotatableBondCount: 1
Xlogp3: 2.8
CatalogNumber:
AI33325
ChemicalName:
3-Bromo-4-(methylsulfanyl)benzonitrile
CasNumber:
1379371-43-3
MolecularFormula:
C8H6BrNS
MolecularWeight:
228.1089
MdlNumber:
MFCD18378500
Smiles:
N#Cc1ccc(c(c1)Br)SC
Complexity:
174
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
2
RotatableBondCount:
1
Xlogp3:
2.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OCc1cc(CN(C)C)cc(c1)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OCc1cc(CN(C)C)cc(c1)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=Cc1cc(CN(C)C)cc(c1)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=Cc1cc(CN(C)C)cc(c1)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CS/C(=N/C#N)/N1CCC(CC1)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CS/C(=N/C#N)/N1CCC(CC1)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__