AD21290
243656-25-9 | Ethyl 2,2-difluoro-2-(4-nitrophenyl)acetate
Manufacturer: A2B Chem
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CatalogNumber
AD21290
ChemicalName
Ethyl 2,2-difluoro-2-(4-nitrophenyl)acetate
CasNumber
243656-25-9
MolecularFormula
C10H9F2NO4
MolecularWeight
245.1795664
MdlNumber
MFCD11975616
Smiles
CCOC(=O)C(c1ccc(cc1)[N+](=O)[O-])(F)F
Complexity
295
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
6
RotatableBondCount
4
Xlogp3
2.6
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CatalogNumber: AD21290
ChemicalName: Ethyl 2,2-difluoro-2-(4-nitrophenyl)acetate
CasNumber: 243656-25-9
MolecularFormula: C10H9F2NO4
MolecularWeight: 245.1795664
MdlNumber: MFCD11975616
Smiles: CCOC(=O)C(c1ccc(cc1)[N+](=O)[O-])(F)F
Complexity: 295
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 6
RotatableBondCount: 4
Xlogp3: 2.6
CatalogNumber:
AD21290
ChemicalName:
Ethyl 2,2-difluoro-2-(4-nitrophenyl)acetate
CasNumber:
243656-25-9
MolecularFormula:
C10H9F2NO4
MolecularWeight:
245.1795664
MdlNumber:
MFCD11975616
Smiles:
CCOC(=O)C(c1ccc(cc1)[N+](=O)[O-])(F)F
Complexity:
295
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
6
RotatableBondCount:
4
Xlogp3:
2.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: N[C@@H](C(=O)O)CSC(c1ccccc1)(c1ccccc1)c1ccccc1
Complexity: 392
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 2
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
N[C@@H](C(=O)O)CSC(c1ccccc1)(c1ccccc1)c1ccccc1
Complexity:
392
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC1CC2CC1C(C2)C(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC1CC2CC1C(C2)C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AD21306
ChemicalName: 5-Bromo-2,4-dichloroaniline
CasNumber: 258344-01-3
MolecularFormula: C6H4BrCl2N
MolecularWeight: 240.9127
MdlNumber: MFCD11226285
Smiles: Nc1cc(Br)c(cc1Cl)Cl
Complexity: 122
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 1
RotatableBondCount: __
Xlogp3: 3.8
CatalogNumber:
AD21306
ChemicalName:
5-Bromo-2,4-dichloroaniline
CasNumber:
258344-01-3
MolecularFormula:
C6H4BrCl2N
MolecularWeight:
240.9127
MdlNumber:
MFCD11226285
Smiles:
Nc1cc(Br)c(cc1Cl)Cl
Complexity:
122
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
1
RotatableBondCount:
__
Xlogp3:
3.8