AE62254
1393441-74-1 | 2-Fluoro-4-(3-nitrophenyl)benzonitrile
Manufacturer: A2B Chem
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CatalogNumber
AE62254
ChemicalName
2-Fluoro-4-(3-nitrophenyl)benzonitrile
CasNumber
1393441-74-1
MolecularFormula
C13H7FN2O2
MolecularWeight
242.2053
MdlNumber
MFCD22383720
Smiles
N#Cc1ccc(cc1F)c1cccc(c1)[N+](=O)[O-]
Complexity
360
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
4
RotatableBondCount
1
Xlogp3
3.2
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CatalogNumber: AE62254
ChemicalName: 2-Fluoro-4-(3-nitrophenyl)benzonitrile
CasNumber: 1393441-74-1
MolecularFormula: C13H7FN2O2
MolecularWeight: 242.2053
MdlNumber: MFCD22383720
Smiles: N#Cc1ccc(cc1F)c1cccc(c1)[N+](=O)[O-]
Complexity: 360
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 4
RotatableBondCount: 1
Xlogp3: 3.2
CatalogNumber:
AE62254
ChemicalName:
2-Fluoro-4-(3-nitrophenyl)benzonitrile
CasNumber:
1393441-74-1
MolecularFormula:
C13H7FN2O2
MolecularWeight:
242.2053
MdlNumber:
MFCD22383720
Smiles:
N#Cc1ccc(cc1F)c1cccc(c1)[N+](=O)[O-]
Complexity:
360
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
4
RotatableBondCount:
1
Xlogp3:
3.2
CatalogNumber: AE62255
ChemicalName: 3-Fluoro-5-(2-nitrophenyl)benzoic acid
CasNumber: 1393442-54-0
MolecularFormula: C13H8FNO4
MolecularWeight: 261.2053
MdlNumber: MFCD22383715
Smiles: Fc1cc(cc(c1)c1ccccc1[N+](=O)[O-])C(=O)O
Complexity: 357
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 5
RotatableBondCount: 2
Xlogp3: 3
CatalogNumber:
AE62255
ChemicalName:
3-Fluoro-5-(2-nitrophenyl)benzoic acid
CasNumber:
1393442-54-0
MolecularFormula:
C13H8FNO4
MolecularWeight:
261.2053
MdlNumber:
MFCD22383715
Smiles:
Fc1cc(cc(c1)c1ccccc1[N+](=O)[O-])C(=O)O
Complexity:
357
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
5
RotatableBondCount:
2
Xlogp3:
3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Clc1cccc2c1cc(n2C)B1OC(C(O1)(C)C)(C)C
Complexity: 374
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Clc1cccc2c1cc(n2C)B1OC(C(O1)(C)C)(C)C
Complexity:
374
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AE62257
ChemicalName: 5-Chloro-2-methylphenylboronic acid, pinacol ester
CasNumber: 1352426-91-5
MolecularFormula: C13H18BClO2
MolecularWeight: 252.5448
MdlNumber: MFCD18729896
Smiles: CC1(C)OB(OC1(C)C)c1cc(Cl)ccc1C
Complexity: 277
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 2
RotatableBondCount: 1
Xlogp3: __
CatalogNumber:
AE62257
ChemicalName:
5-Chloro-2-methylphenylboronic acid, pinacol ester
CasNumber:
1352426-91-5
MolecularFormula:
C13H18BClO2
MolecularWeight:
252.5448
MdlNumber:
MFCD18729896
Smiles:
CC1(C)OB(OC1(C)C)c1cc(Cl)ccc1C
Complexity:
277
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
2
RotatableBondCount:
1
Xlogp3:
__