AB64505
58530-13-5 | 3-Bromo-5-methylbenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AB64505
ChemicalName
3-Bromo-5-methylbenzoic acid
CasNumber
58530-13-5
MolecularFormula
C8H7BrO2
MolecularWeight
215.044
MdlNumber
MFCD02684926
Smiles
Cc1cc(Br)cc(c1)C(=O)O
Complexity
158
Covalently-bondedUnitCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
2.5
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CatalogNumber: AB64505
ChemicalName: 3-Bromo-5-methylbenzoic acid
CasNumber: 58530-13-5
MolecularFormula: C8H7BrO2
MolecularWeight: 215.044
MdlNumber: MFCD02684926
Smiles: Cc1cc(Br)cc(c1)C(=O)O
Complexity: 158
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 2.5
CatalogNumber:
AB64505
ChemicalName:
3-Bromo-5-methylbenzoic acid
CasNumber:
58530-13-5
MolecularFormula:
C8H7BrO2
MolecularWeight:
215.044
MdlNumber:
MFCD02684926
Smiles:
Cc1cc(Br)cc(c1)C(=O)O
Complexity:
158
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
2.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Cc1cc(Br)cc(c1)S(=O)(=O)Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Cc1cc(Br)cc(c1)S(=O)(=O)Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NCc1cc(C)cc(c1)Br
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NCc1cc(C)cc(c1)Br
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB64508
ChemicalName: 3-Bromo-5-nitro-2-(piperidin-1-yl)pyridine
CasNumber: 1065074-87-4
MolecularFormula: C10H12BrN3O2
MolecularWeight: 286.1252
MdlNumber: MFCD11053787
Smiles: Brc1cc(cnc1N1CCCCC1)[N+](=O)[O-]
Complexity: 253
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: __
RotatableBondCount: 1
Xlogp3: 2.7
CatalogNumber:
AB64508
ChemicalName:
3-Bromo-5-nitro-2-(piperidin-1-yl)pyridine
CasNumber:
1065074-87-4
MolecularFormula:
C10H12BrN3O2
MolecularWeight:
286.1252
MdlNumber:
MFCD11053787
Smiles:
Brc1cc(cnc1N1CCCCC1)[N+](=O)[O-]
Complexity:
253
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
__
RotatableBondCount:
1
Xlogp3:
2.7