AB47389
1055331-73-1 | 2-Bromo-5-fluoro-3-nitrobenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AB47389
ChemicalName
2-Bromo-5-fluoro-3-nitrobenzoic acid
CasNumber
1055331-73-1
MolecularFormula
C7H3BrFNO4
MolecularWeight
264.0054
MdlNumber
MFCD12173018
Smiles
Fc1cc([N+](=O)[O-])c(c(c1)C(=O)O)Br
Complexity
257
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
2.1
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CatalogNumber: AB47389
ChemicalName: 2-Bromo-5-fluoro-3-nitrobenzoic acid
CasNumber: 1055331-73-1
MolecularFormula: C7H3BrFNO4
MolecularWeight: 264.0054
MdlNumber: MFCD12173018
Smiles: Fc1cc([N+](=O)[O-])c(c(c1)C(=O)O)Br
Complexity: 257
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 2.1
CatalogNumber:
AB47389
ChemicalName:
2-Bromo-5-fluoro-3-nitrobenzoic acid
CasNumber:
1055331-73-1
MolecularFormula:
C7H3BrFNO4
MolecularWeight:
264.0054
MdlNumber:
MFCD12173018
Smiles:
Fc1cc([N+](=O)[O-])c(c(c1)C(=O)O)Br
Complexity:
257
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
2.1
CatalogNumber: AB47390
ChemicalName: 3-(2-Bromoacetyl)benzonitrile
CasNumber: 50916-55-7
MolecularFormula: C9H6BrNO
MolecularWeight: 224.054
MdlNumber: MFCD00833267
Smiles: BrCC(=O)c1cccc(c1)C#N
Complexity: 218
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: __
RotatableBondCount: 2
Xlogp3: 2
CatalogNumber:
AB47390
ChemicalName:
3-(2-Bromoacetyl)benzonitrile
CasNumber:
50916-55-7
MolecularFormula:
C9H6BrNO
MolecularWeight:
224.054
MdlNumber:
MFCD00833267
Smiles:
BrCC(=O)c1cccc(c1)C#N
Complexity:
218
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
RotatableBondCount:
2
Xlogp3:
2
CatalogNumber: AB47391
ChemicalName: 6-Hydroxypyridine-3-boronic acid
CasNumber: 903899-13-8
MolecularFormula: C5H6BNO3
MolecularWeight: 138.917
MdlNumber: MFCD09907979
Smiles: Oc1ccc(cn1)B(O)O
Complexity: 209
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 3
RotatableBondCount: 1
Xlogp3: __
CatalogNumber:
AB47391
ChemicalName:
6-Hydroxypyridine-3-boronic acid
CasNumber:
903899-13-8
MolecularFormula:
C5H6BNO3
MolecularWeight:
138.917
MdlNumber:
MFCD09907979
Smiles:
Oc1ccc(cn1)B(O)O
Complexity:
209
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
3
RotatableBondCount:
1
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: [Mg]CCCCl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
[Mg]CCCCl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__