AC28004
85953-30-6 | Methyl 2-chloro-4-fluoro-5-nitrobenzoate
Manufacturer: A2B Chem
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CatalogNumber
AC28004
ChemicalName
Methyl 2-chloro-4-fluoro-5-nitrobenzoate
CasNumber
85953-30-6
MolecularFormula
C8H5ClFNO4
MolecularWeight
233.581
MdlNumber
MFCD07779372
Smiles
COC(=O)c1cc([N+](=O)[O-])c(cc1Cl)F
Complexity
270
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
5
RotatableBondCount
2
Xlogp3
2.3
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CatalogNumber: AC28004
ChemicalName: Methyl 2-chloro-4-fluoro-5-nitrobenzoate
CasNumber: 85953-30-6
MolecularFormula: C8H5ClFNO4
MolecularWeight: 233.581
MdlNumber: MFCD07779372
Smiles: COC(=O)c1cc([N+](=O)[O-])c(cc1Cl)F
Complexity: 270
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 5
RotatableBondCount: 2
Xlogp3: 2.3
CatalogNumber:
AC28004
ChemicalName:
Methyl 2-chloro-4-fluoro-5-nitrobenzoate
CasNumber:
85953-30-6
MolecularFormula:
C8H5ClFNO4
MolecularWeight:
233.581
MdlNumber:
MFCD07779372
Smiles:
COC(=O)c1cc([N+](=O)[O-])c(cc1Cl)F
Complexity:
270
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
5
RotatableBondCount:
2
Xlogp3:
2.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Fc1cccc(c1)CNC1CCCC1
Complexity: 166
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 3
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Fc1cccc(c1)CNC1CCCC1
Complexity:
166
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C1CCC(CC1)NC1CCOCC1
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
C1CCC(CC1)NC1CCOCC1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O1CCC(CC1)NC1CCCC1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O1CCC(CC1)NC1CCCC1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__