AE62255
1393442-54-0 | 3-Fluoro-5-(2-nitrophenyl)benzoic acid
Manufacturer: A2B Chem
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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
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
3
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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
HydrogenBondDonorCount: 1
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
HydrogenBondDonorCount:
1
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: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Clc1cccc2c1cc(n2C)B1OC(C(O1)(C)C)(C)C
Complexity:
374
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
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
HydrogenBondDonorCount: __
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
HydrogenBondDonorCount:
__
RotatableBondCount:
1
Xlogp3:
__
CatalogNumber: AE62258
ChemicalName: 2-Chloro-4-nitrophenylboronic acid, pinacol ester
CasNumber: 1426804-80-9
MolecularFormula: C12H15BClNO4
MolecularWeight: 283.5158
MdlNumber: MFCD20529521
Smiles: Clc1cc(ccc1B1OC(C(O1)(C)C)(C)C)N(=O)=O
Complexity: 355
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: __
RotatableBondCount: 1
Xlogp3: __
CatalogNumber:
AE62258
ChemicalName:
2-Chloro-4-nitrophenylboronic acid, pinacol ester
CasNumber:
1426804-80-9
MolecularFormula:
C12H15BClNO4
MolecularWeight:
283.5158
MdlNumber:
MFCD20529521
Smiles:
Clc1cc(ccc1B1OC(C(O1)(C)C)(C)C)N(=O)=O
Complexity:
355
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
__
RotatableBondCount:
1
Xlogp3:
__