AB48961
63603-09-8 | Methyl 4-chloro-3-methoxy-5-nitrobenzenecarboxylate
Manufacturer: A2B Chem
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CatalogNumber
AB48961
ChemicalName
Methyl 4-chloro-3-methoxy-5-nitrobenzenecarboxylate
CasNumber
63603-09-8
MolecularFormula
C9H8ClNO5
MolecularWeight
245.6165
MdlNumber
MFCD16140357
Smiles
COC(=O)c1cc(OC)c(c(c1)[N+](=O)[O-])Cl
Complexity
280
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
5
RotatableBondCount
3
Xlogp3
2.2
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CatalogNumber: AB48961
ChemicalName: Methyl 4-chloro-3-methoxy-5-nitrobenzenecarboxylate
CasNumber: 63603-09-8
MolecularFormula: C9H8ClNO5
MolecularWeight: 245.6165
MdlNumber: MFCD16140357
Smiles: COC(=O)c1cc(OC)c(c(c1)[N+](=O)[O-])Cl
Complexity: 280
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 5
RotatableBondCount: 3
Xlogp3: 2.2
CatalogNumber:
AB48961
ChemicalName:
Methyl 4-chloro-3-methoxy-5-nitrobenzenecarboxylate
CasNumber:
63603-09-8
MolecularFormula:
C9H8ClNO5
MolecularWeight:
245.6165
MdlNumber:
MFCD16140357
Smiles:
COC(=O)c1cc(OC)c(c(c1)[N+](=O)[O-])Cl
Complexity:
280
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
5
RotatableBondCount:
3
Xlogp3:
2.2
CatalogNumber: AB48962
ChemicalName: Di-tert-Butyl malonate
CasNumber: 541-16-2
MolecularFormula: C11H20O4
MolecularWeight: 216.2741
MdlNumber: MFCD00008810
Smiles: O=C(OC(C)(C)C)CC(=O)OC(C)(C)C
Complexity: 216
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 4
RotatableBondCount: 6
Xlogp3: 2.1
CatalogNumber:
AB48962
ChemicalName:
Di-tert-Butyl malonate
CasNumber:
541-16-2
MolecularFormula:
C11H20O4
MolecularWeight:
216.2741
MdlNumber:
MFCD00008810
Smiles:
O=C(OC(C)(C)C)CC(=O)OC(C)(C)C
Complexity:
216
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
4
RotatableBondCount:
6
Xlogp3:
2.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Clc1cnc(c(c1)[N+](=O)[O-])N
Complexity: 160
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 1.5
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Clc1cnc(c(c1)[N+](=O)[O-])N
Complexity:
160
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
1.5
CatalogNumber: AB48964
ChemicalName: 4-Hydroxy-1,5-naphthyridine-3-carboxylic acid
CasNumber: 53512-10-0
MolecularFormula: C9H6N2O3
MolecularWeight: 190.1555
MdlNumber: MFCD07787267
Smiles: OC(=O)c1cnc2c(c1O)nccc2
Complexity: 311
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 5
RotatableBondCount: 1
Xlogp3: 1.1
CatalogNumber:
AB48964
ChemicalName:
4-Hydroxy-1,5-naphthyridine-3-carboxylic acid
CasNumber:
53512-10-0
MolecularFormula:
C9H6N2O3
MolecularWeight:
190.1555
MdlNumber:
MFCD07787267
Smiles:
OC(=O)c1cnc2c(c1O)nccc2
Complexity:
311
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
5
RotatableBondCount:
1
Xlogp3:
1.1