AA44867
1290117-21-3 | 3-Bromo-4-fluoro-5-nitrobenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AA44867
ChemicalName
3-Bromo-4-fluoro-5-nitrobenzoic acid
CasNumber
1290117-21-3
MolecularFormula
C7H3BrFNO4
MolecularWeight
264.0054
MdlNumber
MFCD18914494
Smiles
[O-][N+](=O)c1cc(cc(c1F)Br)C(=O)O
Complexity
257
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
2.1
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CatalogNumber: AA44867
ChemicalName: 3-Bromo-4-fluoro-5-nitrobenzoic acid
CasNumber: 1290117-21-3
MolecularFormula: C7H3BrFNO4
MolecularWeight: 264.0054
MdlNumber: MFCD18914494
Smiles: [O-][N+](=O)c1cc(cc(c1F)Br)C(=O)O
Complexity: 257
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 2.1
CatalogNumber:
AA44867
ChemicalName:
3-Bromo-4-fluoro-5-nitrobenzoic acid
CasNumber:
1290117-21-3
MolecularFormula:
C7H3BrFNO4
MolecularWeight:
264.0054
MdlNumber:
MFCD18914494
Smiles:
[O-][N+](=O)c1cc(cc(c1F)Br)C(=O)O
Complexity:
257
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
2.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Brc1ccc2c(c1)[nH]c(c2C(=O)O)Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Brc1ccc2c(c1)[nH]c(c2C(=O)O)Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NNc1ncc(cc1C(F)(F)F)Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NNc1ncc(cc1C(F)(F)F)Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AA44871
ChemicalName: 3-(4-Bromophenyl)pyridine
CasNumber: 129013-83-8
MolecularFormula: C11H8BrN
MolecularWeight: 234.0919
MdlNumber: MFCD04116232
Smiles: Brc1ccc(cc1)c1cccnc1
Complexity: 152
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: __
RotatableBondCount: 1
Xlogp3: 3.2
CatalogNumber:
AA44871
ChemicalName:
3-(4-Bromophenyl)pyridine
CasNumber:
129013-83-8
MolecularFormula:
C11H8BrN
MolecularWeight:
234.0919
MdlNumber:
MFCD04116232
Smiles:
Brc1ccc(cc1)c1cccnc1
Complexity:
152
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
__
RotatableBondCount:
1
Xlogp3:
3.2