AA57078
1381944-42-8 | Methyl 2-cyano-2-(4-fluoro-2-nitrophenyl)acetate
Manufacturer: A2B Chem
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CatalogNumber
AA57078
ChemicalName
Methyl 2-cyano-2-(4-fluoro-2-nitrophenyl)acetate
CasNumber
1381944-42-8
MolecularFormula
C10H7FN2O4
MolecularWeight
238.172
MdlNumber
MFCD22375003
Smiles
N#CC(c1ccc(cc1[N+](=O)[O-])F)C(=O)OC
Complexity
359
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
6
RotatableBondCount
3
UndefinedAtomStereocenterCount
1
Xlogp3
1.6
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CatalogNumber: AA57078
ChemicalName: Methyl 2-cyano-2-(4-fluoro-2-nitrophenyl)acetate
CasNumber: 1381944-42-8
MolecularFormula: C10H7FN2O4
MolecularWeight: 238.172
MdlNumber: MFCD22375003
Smiles: N#CC(c1ccc(cc1[N+](=O)[O-])F)C(=O)OC
Complexity: 359
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 6
RotatableBondCount: 3
UndefinedAtomStereocenterCount: 1
Xlogp3: 1.6
CatalogNumber:
AA57078
ChemicalName:
Methyl 2-cyano-2-(4-fluoro-2-nitrophenyl)acetate
CasNumber:
1381944-42-8
MolecularFormula:
C10H7FN2O4
MolecularWeight:
238.172
MdlNumber:
MFCD22375003
Smiles:
N#CC(c1ccc(cc1[N+](=O)[O-])F)C(=O)OC
Complexity:
359
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
6
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
1
Xlogp3:
1.6
CatalogNumber: AA57079
ChemicalName: 3-[3-(Benzyloxy)phenyl]-2-fluorobenzoic acid
CasNumber: 1381944-41-7
MolecularFormula: C20H15FO3
MolecularWeight: 322.3297
MdlNumber: MFCD22375079
Smiles: OC(=O)c1cccc(c1F)c1cccc(c1)OCc1ccccc1
Complexity: 408
Covalently-bondedUnitCount: 1
HeavyAtomCount: 24
HydrogenBondAcceptorCount: 4
RotatableBondCount: 5
UndefinedAtomStereocenterCount: __
Xlogp3: 4.6
CatalogNumber:
AA57079
ChemicalName:
3-[3-(Benzyloxy)phenyl]-2-fluorobenzoic acid
CasNumber:
1381944-41-7
MolecularFormula:
C20H15FO3
MolecularWeight:
322.3297
MdlNumber:
MFCD22375079
Smiles:
OC(=O)c1cccc(c1F)c1cccc(c1)OCc1ccccc1
Complexity:
408
Covalently-bondedUnitCount:
1
HeavyAtomCount:
24
HydrogenBondAcceptorCount:
4
RotatableBondCount:
5
UndefinedAtomStereocenterCount:
__
Xlogp3:
4.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCn1cnc2c1c(F)c(c(c2)Br)F
Complexity: 217
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 2.6
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCn1cnc2c1c(F)c(c(c2)Br)F
Complexity:
217
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
2.6
CatalogNumber: AA57081
ChemicalName: 4-Bromo-5,6-difluoro-1-N-methylbenzene-1,2-diamine
CasNumber: 1381944-38-2
MolecularFormula: C7H7BrF2N2
MolecularWeight: 237.0447
MdlNumber: MFCD22375001
Smiles: CNc1c(N)cc(c(c1F)F)Br
Complexity: 158
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 4
RotatableBondCount: 1
UndefinedAtomStereocenterCount: __
Xlogp3: 2.1
CatalogNumber:
AA57081
ChemicalName:
4-Bromo-5,6-difluoro-1-N-methylbenzene-1,2-diamine
CasNumber:
1381944-38-2
MolecularFormula:
C7H7BrF2N2
MolecularWeight:
237.0447
MdlNumber:
MFCD22375001
Smiles:
CNc1c(N)cc(c(c1F)F)Br
Complexity:
158
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
4
RotatableBondCount:
1
UndefinedAtomStereocenterCount:
__
Xlogp3:
2.1