AF60918
36138-28-0 | Methyl 3-chloro-5-nitrobenzoate
Manufacturer: A2B Chem
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CatalogNumber
AF60918
ChemicalName
Methyl 3-chloro-5-nitrobenzoate
CasNumber
36138-28-0
MolecularFormula
C8H6ClNO4
MolecularWeight
215.5905
MdlNumber
MFCD01529623
Smiles
COC(=O)c1cc(Cl)cc(c1)[N+](=O)[O-]
Complexity
240
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
4
RotatableBondCount
2
Xlogp3
2.6
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CatalogNumber: AF60918
ChemicalName: Methyl 3-chloro-5-nitrobenzoate
CasNumber: 36138-28-0
MolecularFormula: C8H6ClNO4
MolecularWeight: 215.5905
MdlNumber: MFCD01529623
Smiles: COC(=O)c1cc(Cl)cc(c1)[N+](=O)[O-]
Complexity: 240
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
RotatableBondCount: 2
Xlogp3: 2.6
CatalogNumber:
AF60918
ChemicalName:
Methyl 3-chloro-5-nitrobenzoate
CasNumber:
36138-28-0
MolecularFormula:
C8H6ClNO4
MolecularWeight:
215.5905
MdlNumber:
MFCD01529623
Smiles:
COC(=O)c1cc(Cl)cc(c1)[N+](=O)[O-]
Complexity:
240
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
RotatableBondCount:
2
Xlogp3:
2.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CSc1ncc(n1Cc1ccccc1)CO
Complexity: 209
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 1.6
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CSc1ncc(n1Cc1ccccc1)CO
Complexity:
209
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
1.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCCCCNC(=O)c1ccccc1Br
Complexity: 196
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 2.8
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCCCCNC(=O)c1ccccc1Br
Complexity:
196
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
2.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Brc1cncnc1c1ccccc1
Complexity: 157
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 2.6
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Brc1cncnc1c1ccccc1
Complexity:
157
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
2.6