AD96286
84487-16-1 | 4-acetamidopicolinic acid
Manufacturer: A2B Chem
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CatalogNumber
AD96286
ChemicalName
4-acetamidopicolinic acid
CasNumber
84487-16-1
MolecularFormula
C8H8N2O3
MolecularWeight
180.1607
MdlNumber
MFCD09835092
Smiles
CC(=O)Nc1ccnc(c1)C(=O)O
Complexity
217
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
RotatableBondCount
2
Xlogp3
-0.1
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CatalogNumber: AD96286
ChemicalName: 4-acetamidopicolinic acid
CasNumber: 84487-16-1
MolecularFormula: C8H8N2O3
MolecularWeight: 180.1607
MdlNumber: MFCD09835092
Smiles: CC(=O)Nc1ccnc(c1)C(=O)O
Complexity: 217
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: -0.1
CatalogNumber:
AD96286
ChemicalName:
4-acetamidopicolinic acid
CasNumber:
84487-16-1
MolecularFormula:
C8H8N2O3
MolecularWeight:
180.1607
MdlNumber:
MFCD09835092
Smiles:
CC(=O)Nc1ccnc(c1)C(=O)O
Complexity:
217
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
-0.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1ccnc(c1[N+](=O)[O-])N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1ccnc(c1[N+](=O)[O-])N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Nc1c(Br)cc(c(c1Br)F)Br
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Nc1c(Br)cc(c(c1Br)F)Br
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AD96292
ChemicalName: 2-Bromo-4-fluoro-5-nitrophenol
CasNumber: 84478-87-5
MolecularFormula: C6H3BrFNO3
MolecularWeight: 235.9953232
MdlNumber: MFCD08460104
Smiles: [O-][N+](=O)c1cc(O)c(cc1F)Br
Complexity: 186
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: __
Xlogp3: 2.2
CatalogNumber:
AD96292
ChemicalName:
2-Bromo-4-fluoro-5-nitrophenol
CasNumber:
84478-87-5
MolecularFormula:
C6H3BrFNO3
MolecularWeight:
235.9953232
MdlNumber:
MFCD08460104
Smiles:
[O-][N+](=O)c1cc(O)c(cc1F)Br
Complexity:
186
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
__
Xlogp3:
2.2