AF58818
42087-80-9 | Methyl 4-chloro-2-nitrobenzoate
Manufacturer: A2B Chem
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CatalogNumber
AF58818
ChemicalName
Methyl 4-chloro-2-nitrobenzoate
CasNumber
42087-80-9
MolecularFormula
C8H6ClNO4
MolecularWeight
215.5905
MdlNumber
MFCD00007213
Smiles
COC(=O)c1ccc(cc1[N+](=O)[O-])Cl
NscNumber
17028
Complexity
240
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
4
RotatableBondCount
2
Xlogp3
2.4
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CatalogNumber: AF58818
ChemicalName: Methyl 4-chloro-2-nitrobenzoate
CasNumber: 42087-80-9
MolecularFormula: C8H6ClNO4
MolecularWeight: 215.5905
MdlNumber: MFCD00007213
Smiles: COC(=O)c1ccc(cc1[N+](=O)[O-])Cl
NscNumber: 17028
Complexity: 240
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
RotatableBondCount: 2
Xlogp3: 2.4
CatalogNumber:
AF58818
ChemicalName:
Methyl 4-chloro-2-nitrobenzoate
CasNumber:
42087-80-9
MolecularFormula:
C8H6ClNO4
MolecularWeight:
215.5905
MdlNumber:
MFCD00007213
Smiles:
COC(=O)c1ccc(cc1[N+](=O)[O-])Cl
NscNumber:
17028
Complexity:
240
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
RotatableBondCount:
2
Xlogp3:
2.4
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Smiles: NC(=O)c1cc(O)cc(c1)O
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HydrogenBondAcceptorCount: __
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Xlogp3: __
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Smiles:
NC(=O)c1cc(O)cc(c1)O
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Smiles: CC(=O)Nc1ccc(cc1C(=O)O)[N+](=O)[O-]
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Smiles:
CC(=O)Nc1ccc(cc1C(=O)O)[N+](=O)[O-]
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__
HeavyAtomCount:
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Smiles: CN1Cc2c3OCOc3ccc2-c2c1c1cc3OCOc3cc1cc2
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ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
CN1Cc2c3OCOc3ccc2-c2c1c1cc3OCOc3cc1cc2
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__