AG21385
52780-15-1 | 3-Bromo-2-methylbenzonitrile
Manufacturer: A2B Chem
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CatalogNumber
AG21385
ChemicalName
3-Bromo-2-methylbenzonitrile
CasNumber
52780-15-1
MolecularFormula
C8H6BrN
MolecularWeight
196.04393999999994
MdlNumber
MFCD09025665
Smiles
N#Cc1cccc(c1C)Br
Complexity
158
Covalently-bondedUnitCount
1
HeavyAtomCount
10
HydrogenBondAcceptorCount
1
Xlogp3
2.7
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CatalogNumber: AG21385
ChemicalName: 3-Bromo-2-methylbenzonitrile
CasNumber: 52780-15-1
MolecularFormula: C8H6BrN
MolecularWeight: 196.04393999999994
MdlNumber: MFCD09025665
Smiles: N#Cc1cccc(c1C)Br
Complexity: 158
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 1
Xlogp3: 2.7
CatalogNumber:
AG21385
ChemicalName:
3-Bromo-2-methylbenzonitrile
CasNumber:
52780-15-1
MolecularFormula:
C8H6BrN
MolecularWeight:
196.04393999999994
MdlNumber:
MFCD09025665
Smiles:
N#Cc1cccc(c1C)Br
Complexity:
158
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
1
Xlogp3:
2.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=c1ccc2c([nH]1)cncc2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=c1ccc2c([nH]1)cncc2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(=C)C(=O)NCCC[N+](C)(C)C.[Cl-]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
CC(=C)C(=O)NCCC[N+](C)(C)C.[Cl-]
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
Xlogp3:
__
CatalogNumber: AG21388
ChemicalName: Methyl 3-(4-chlorophenyl)propanoate
CasNumber: 50561-69-8
MolecularFormula: C10H11ClO2
MolecularWeight: 198.6461
MdlNumber: MFCD08273468
Smiles: COC(=O)CCc1ccc(cc1)Cl
Complexity: 162
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 2
Xlogp3: 2.9
CatalogNumber:
AG21388
ChemicalName:
Methyl 3-(4-chlorophenyl)propanoate
CasNumber:
50561-69-8
MolecularFormula:
C10H11ClO2
MolecularWeight:
198.6461
MdlNumber:
MFCD08273468
Smiles:
COC(=O)CCc1ccc(cc1)Cl
Complexity:
162
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
2
Xlogp3:
2.9