AB18521
20826-04-4 | 5-Bromonicotinic acid
Manufacturer: A2B Chem
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CatalogNumber
AB18521
ChemicalName
5-Bromonicotinic acid
CasNumber
20826-04-4
MolecularFormula
C6H4BrNO2
MolecularWeight
202.00545999999994
MdlNumber
MFCD00009783
Smiles
OC(=O)c1cc(Br)cnc1
NscNumber
9461
Complexity
140
Covalently-bondedUnitCount
1
HeavyAtomCount
10
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
1.1
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CatalogNumber: AB18521
ChemicalName: 5-Bromonicotinic acid
CasNumber: 20826-04-4
MolecularFormula: C6H4BrNO2
MolecularWeight: 202.00545999999994
MdlNumber: MFCD00009783
Smiles: OC(=O)c1cc(Br)cnc1
NscNumber: 9461
Complexity: 140
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 1.1
CatalogNumber:
AB18521
ChemicalName:
5-Bromonicotinic acid
CasNumber:
20826-04-4
MolecularFormula:
C6H4BrNO2
MolecularWeight:
202.00545999999994
MdlNumber:
MFCD00009783
Smiles:
OC(=O)c1cc(Br)cnc1
NscNumber:
9461
Complexity:
140
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
1.1
CatalogNumber: AB18522
ChemicalName: 5-Methoxynicotinic acid
CasNumber: 20826-03-3
MolecularFormula: C7H7NO3
MolecularWeight: 153.13538
MdlNumber: MFCD01603648
Smiles: COc1cncc(c1)C(=O)O
NscNumber: __
Complexity: 149
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 0.3
CatalogNumber:
AB18522
ChemicalName:
5-Methoxynicotinic acid
CasNumber:
20826-03-3
MolecularFormula:
C7H7NO3
MolecularWeight:
153.13538
MdlNumber:
MFCD01603648
Smiles:
COc1cncc(c1)C(=O)O
NscNumber:
__
Complexity:
149
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
0.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOC(=O)c1cncc(c1)C
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOC(=O)c1cncc(c1)C
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOC(=O)c1cncc(c1)OC
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOC(=O)c1cncc(c1)OC
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__