AV18598
653306-99-1 | 2,2-Bis(4-nitrobenzyl)malonic acid
Manufacturer: A2B Chem
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CatalogNumber
AV18598
ChemicalName
2,2-Bis(4-nitrobenzyl)malonic acid
CasNumber
653306-99-1
MolecularFormula
C17H14N2O8
MolecularWeight
374.3017
MdlNumber
MFCD28405051
Smiles
OC(=O)C(C(=O)O)(Cc1ccc(cc1)[N+](=O)[O-])Cc1ccc(cc1)[N+](=O)[O-]
Complexity
529
Covalently-bondedUnitCount
1
HeavyAtomCount
27
HydrogenBondAcceptorCount
8
HydrogenBondDonorCount
2
RotatableBondCount
6
Xlogp3
2.9
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CatalogNumber: AV18598
ChemicalName: 2,2-Bis(4-nitrobenzyl)malonic acid
CasNumber: 653306-99-1
MolecularFormula: C17H14N2O8
MolecularWeight: 374.3017
MdlNumber: MFCD28405051
Smiles: OC(=O)C(C(=O)O)(Cc1ccc(cc1)[N+](=O)[O-])Cc1ccc(cc1)[N+](=O)[O-]
Complexity: 529
Covalently-bondedUnitCount: 1
HeavyAtomCount: 27
HydrogenBondAcceptorCount: 8
HydrogenBondDonorCount: 2
RotatableBondCount: 6
Xlogp3: 2.9
CatalogNumber:
AV18598
ChemicalName:
2,2-Bis(4-nitrobenzyl)malonic acid
CasNumber:
653306-99-1
MolecularFormula:
C17H14N2O8
MolecularWeight:
374.3017
MdlNumber:
MFCD28405051
Smiles:
OC(=O)C(C(=O)O)(Cc1ccc(cc1)[N+](=O)[O-])Cc1ccc(cc1)[N+](=O)[O-]
Complexity:
529
Covalently-bondedUnitCount:
1
HeavyAtomCount:
27
HydrogenBondAcceptorCount:
8
HydrogenBondDonorCount:
2
RotatableBondCount:
6
Xlogp3:
2.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NCC(=O)c1ccc(cc1)OC
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NCC(=O)c1ccc(cc1)OC
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AV18600
ChemicalName: 5-Bromo-1-methyl-2-phenyl-1h-imidazole
CasNumber: 71045-44-8
MolecularFormula: C10H9BrN2
MolecularWeight: 237.0959
MdlNumber: MFCD16987784
Smiles: Cn1c(Br)cnc1c1ccccc1
Complexity: 168
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: __
RotatableBondCount: 1
Xlogp3: 2.4
CatalogNumber:
AV18600
ChemicalName:
5-Bromo-1-methyl-2-phenyl-1h-imidazole
CasNumber:
71045-44-8
MolecularFormula:
C10H9BrN2
MolecularWeight:
237.0959
MdlNumber:
MFCD16987784
Smiles:
Cn1c(Br)cnc1c1ccccc1
Complexity:
168
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
__
RotatableBondCount:
1
Xlogp3:
2.4
CatalogNumber: AV18601
ChemicalName: 5-Iodo-1-methyl-2-phenyl-1H-imidazole
CasNumber: 851870-30-9
MolecularFormula: C10H9IN2
MolecularWeight: 284.0963
MdlNumber: MFCD28399099
Smiles: Cn1c(I)cnc1c1ccccc1
Complexity: 168
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: __
RotatableBondCount: 1
Xlogp3: 2.4
CatalogNumber:
AV18601
ChemicalName:
5-Iodo-1-methyl-2-phenyl-1H-imidazole
CasNumber:
851870-30-9
MolecularFormula:
C10H9IN2
MolecularWeight:
284.0963
MdlNumber:
MFCD28399099
Smiles:
Cn1c(I)cnc1c1ccccc1
Complexity:
168
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
__
RotatableBondCount:
1
Xlogp3:
2.4