AV18552
42760-46-3 | 7-Nitrophthalide
Manufacturer: A2B Chem
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CatalogNumber
AV18552
ChemicalName
7-Nitrophthalide
CasNumber
42760-46-3
MolecularFormula
C8H5NO4
MolecularWeight
179.1296
MdlNumber
MFCD02091631
Smiles
[O-][N+](=O)c1cccc2c1C(=O)OC2
Complexity
247
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
4
Xlogp3
1.2
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CatalogNumber: AV18552
ChemicalName: 7-Nitrophthalide
CasNumber: 42760-46-3
MolecularFormula: C8H5NO4
MolecularWeight: 179.1296
MdlNumber: MFCD02091631
Smiles: [O-][N+](=O)c1cccc2c1C(=O)OC2
Complexity: 247
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
Xlogp3: 1.2
CatalogNumber:
AV18552
ChemicalName:
7-Nitrophthalide
CasNumber:
42760-46-3
MolecularFormula:
C8H5NO4
MolecularWeight:
179.1296
MdlNumber:
MFCD02091631
Smiles:
[O-][N+](=O)c1cccc2c1C(=O)OC2
Complexity:
247
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
Xlogp3:
1.2
CatalogNumber: AV18554
ChemicalName: 6-(Benzyloxy)quinoline-2,4-dicarboxylic acid
CasNumber: 250641-16-8
MolecularFormula: C18H13NO5
MolecularWeight: 323.2995
MdlNumber: MFCD30185857
Smiles: OC(=O)c1cc(nc2c1cc(OCc1ccccc1)cc2)C(=O)O
Complexity: 462
Covalently-bondedUnitCount: 1
HeavyAtomCount: 24
HydrogenBondAcceptorCount: 6
Xlogp3: 3
CatalogNumber:
AV18554
ChemicalName:
6-(Benzyloxy)quinoline-2,4-dicarboxylic acid
CasNumber:
250641-16-8
MolecularFormula:
C18H13NO5
MolecularWeight:
323.2995
MdlNumber:
MFCD30185857
Smiles:
OC(=O)c1cc(nc2c1cc(OCc1ccccc1)cc2)C(=O)O
Complexity:
462
Covalently-bondedUnitCount:
1
HeavyAtomCount:
24
HydrogenBondAcceptorCount:
6
Xlogp3:
3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Ic1ncc2c(n1)cccc2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Ic1ncc2c(n1)cccc2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
Xlogp3:
__
CatalogNumber: AV18556
ChemicalName: 3-[Benzyl-(2-hydroxy-propyl)-amino]-propan-1-ol
CasNumber: 80662-80-2
MolecularFormula: C13H21NO2
MolecularWeight: 223.3113
MdlNumber: MFCD30185874
Smiles: OCCCN(Cc1ccccc1)CC(O)C
Complexity: 169
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 3
Xlogp3: 1.2
CatalogNumber:
AV18556
ChemicalName:
3-[Benzyl-(2-hydroxy-propyl)-amino]-propan-1-ol
CasNumber:
80662-80-2
MolecularFormula:
C13H21NO2
MolecularWeight:
223.3113
MdlNumber:
MFCD30185874
Smiles:
OCCCN(Cc1ccccc1)CC(O)C
Complexity:
169
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
3
Xlogp3:
1.2