AA02068
1003708-58-4 | 2-Nitro-5-(trifluoromethoxy)benzonitrile
Manufacturer: A2B Chem
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CatalogNumber
AA02068
ChemicalName
2-Nitro-5-(trifluoromethoxy)benzonitrile
CasNumber
1003708-58-4
MolecularFormula
C8H3F3N2O3
MolecularWeight
232.1162
MdlNumber
MFCD09835205
Smiles
N#Cc1cc(ccc1[N+](=O)[O-])OC(F)(F)F
Complexity
317
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
7
RotatableBondCount
1
Xlogp3
2.7
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CatalogNumber: AA02068
ChemicalName: 2-Nitro-5-(trifluoromethoxy)benzonitrile
CasNumber: 1003708-58-4
MolecularFormula: C8H3F3N2O3
MolecularWeight: 232.1162
MdlNumber: MFCD09835205
Smiles: N#Cc1cc(ccc1[N+](=O)[O-])OC(F)(F)F
Complexity: 317
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 7
RotatableBondCount: 1
Xlogp3: 2.7
CatalogNumber:
AA02068
ChemicalName:
2-Nitro-5-(trifluoromethoxy)benzonitrile
CasNumber:
1003708-58-4
MolecularFormula:
C8H3F3N2O3
MolecularWeight:
232.1162
MdlNumber:
MFCD09835205
Smiles:
N#Cc1cc(ccc1[N+](=O)[O-])OC(F)(F)F
Complexity:
317
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
7
RotatableBondCount:
1
Xlogp3:
2.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1c(F)c(C#N)c(c(c1F)F)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1c(F)c(C#N)c(c(c1F)F)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AA02070
ChemicalName: 3-Fluoro-5-formylbenzonitrile
CasNumber: 1003708-42-6
MolecularFormula: C8H4FNO
MolecularWeight: 149.1219
MdlNumber: MFCD04974123
Smiles: O=Cc1cc(C#N)cc(c1)F
Complexity: 196
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 3
RotatableBondCount: 1
Xlogp3: 1.2
CatalogNumber:
AA02070
ChemicalName:
3-Fluoro-5-formylbenzonitrile
CasNumber:
1003708-42-6
MolecularFormula:
C8H4FNO
MolecularWeight:
149.1219
MdlNumber:
MFCD04974123
Smiles:
O=Cc1cc(C#N)cc(c1)F
Complexity:
196
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
3
RotatableBondCount:
1
Xlogp3:
1.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCc1cc(N)cc(c1OC)C#N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCc1cc(N)cc(c1OC)C#N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__