AA21506
1156940-16-7 | Ethyl 3-chloro-5-nitrobenzoate
Manufacturer: A2B Chem
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CatalogNumber
AA21506
ChemicalName
Ethyl 3-chloro-5-nitrobenzoate
CasNumber
1156940-16-7
MolecularFormula
C9H8ClNO4
MolecularWeight
229.6171
MdlNumber
MFCD12172957
Smiles
CCOC(=O)c1cc(Cl)cc(c1)[N+](=O)[O-]
Complexity
253
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
4
RotatableBondCount
3
Xlogp3
3
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CatalogNumber: AA21506
ChemicalName: Ethyl 3-chloro-5-nitrobenzoate
CasNumber: 1156940-16-7
MolecularFormula: C9H8ClNO4
MolecularWeight: 229.6171
MdlNumber: MFCD12172957
Smiles: CCOC(=O)c1cc(Cl)cc(c1)[N+](=O)[O-]
Complexity: 253
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 4
RotatableBondCount: 3
Xlogp3: 3
CatalogNumber:
AA21506
ChemicalName:
Ethyl 3-chloro-5-nitrobenzoate
CasNumber:
1156940-16-7
MolecularFormula:
C9H8ClNO4
MolecularWeight:
229.6171
MdlNumber:
MFCD12172957
Smiles:
CCOC(=O)c1cc(Cl)cc(c1)[N+](=O)[O-]
Complexity:
253
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
4
RotatableBondCount:
3
Xlogp3:
3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOC(=O)c1cc([N+](=O)[O-])c(cc1C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOC(=O)c1cc([N+](=O)[O-])c(cc1C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Fc1ccc2c(c1)nc(n2C)N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Fc1ccc2c(c1)nc(n2C)N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C([C@H](Cc1c[nH]c2c1cccc2)N)OC(C)(C)C.Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C([C@H](Cc1c[nH]c2c1cccc2)N)OC(C)(C)C.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__