AE61956
1345471-86-4 | 3-Bromo-4-fluoro-5-nitrobenzamide
Manufacturer: A2B Chem
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CatalogNumber
AE61956
ChemicalName
3-Bromo-4-fluoro-5-nitrobenzamide
CasNumber
1345471-86-4
MolecularFormula
C7H4BrFN2O3
MolecularWeight
263.02066319999994
MdlNumber
MFCD20441786
Smiles
[O-][N+](=O)c1cc(cc(c1F)Br)C(=O)N
Complexity
258
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
1.4
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CatalogNumber: AE61956
ChemicalName: 3-Bromo-4-fluoro-5-nitrobenzamide
CasNumber: 1345471-86-4
MolecularFormula: C7H4BrFN2O3
MolecularWeight: 263.02066319999994
MdlNumber: MFCD20441786
Smiles: [O-][N+](=O)c1cc(cc(c1F)Br)C(=O)N
Complexity: 258
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 1.4
CatalogNumber:
AE61956
ChemicalName:
3-Bromo-4-fluoro-5-nitrobenzamide
CasNumber:
1345471-86-4
MolecularFormula:
C7H4BrFN2O3
MolecularWeight:
263.02066319999994
MdlNumber:
MFCD20441786
Smiles:
[O-][N+](=O)c1cc(cc(c1F)Br)C(=O)N
Complexity:
258
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
1.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CN1CCN(CC1)Cc1cc(Br)ccc1F
Complexity: 219
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2.4
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CN1CCN(CC1)Cc1cc(Br)ccc1F
Complexity:
219
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2.4
CatalogNumber: AE61958
ChemicalName: 2-Chloro-5-phenylisonicotinic acid
CasNumber: 1214323-23-5
MolecularFormula: C12H8ClNO2
MolecularWeight: 233.6504
MdlNumber: MFCD14701690
Smiles: Clc1ncc(c(c1)C(=O)O)c1ccccc1
Complexity: 253
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 3
CatalogNumber:
AE61958
ChemicalName:
2-Chloro-5-phenylisonicotinic acid
CasNumber:
1214323-23-5
MolecularFormula:
C12H8ClNO2
MolecularWeight:
233.6504
MdlNumber:
MFCD14701690
Smiles:
Clc1ncc(c(c1)C(=O)O)c1ccccc1
Complexity:
253
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
3
CatalogNumber: AE61959
ChemicalName: 2-Chloro-4-(3-chlorophenyl)benzonitrile
CasNumber: 1355247-47-0
MolecularFormula: C13H7Cl2N
MolecularWeight: 248.1074
MdlNumber: MFCD21333014
Smiles: N#Cc1ccc(cc1Cl)c1cccc(c1)Cl
Complexity: 283
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: __
RotatableBondCount: 1
Xlogp3: 4.5
CatalogNumber:
AE61959
ChemicalName:
2-Chloro-4-(3-chlorophenyl)benzonitrile
CasNumber:
1355247-47-0
MolecularFormula:
C13H7Cl2N
MolecularWeight:
248.1074
MdlNumber:
MFCD21333014
Smiles:
N#Cc1ccc(cc1Cl)c1cccc(c1)Cl
Complexity:
283
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
__
RotatableBondCount:
1
Xlogp3:
4.5