AB48073
82817-65-0 | 5-Acetamidonicotinic acid
Manufacturer: A2B Chem
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CatalogNumber
AB48073
ChemicalName
5-Acetamidonicotinic acid
CasNumber
82817-65-0
MolecularFormula
C8H8N2O3
MolecularWeight
180.1607
MdlNumber
MFCD04115723
Smiles
CC(=O)Nc1cncc(c1)C(=O)O
NscNumber
606897
Complexity
217
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
RotatableBondCount
2
Xlogp3
-0.4
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CatalogNumber: AB48073
ChemicalName: 5-Acetamidonicotinic acid
CasNumber: 82817-65-0
MolecularFormula: C8H8N2O3
MolecularWeight: 180.1607
MdlNumber: MFCD04115723
Smiles: CC(=O)Nc1cncc(c1)C(=O)O
NscNumber: 606897
Complexity: 217
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: -0.4
CatalogNumber:
AB48073
ChemicalName:
5-Acetamidonicotinic acid
CasNumber:
82817-65-0
MolecularFormula:
C8H8N2O3
MolecularWeight:
180.1607
MdlNumber:
MFCD04115723
Smiles:
CC(=O)Nc1cncc(c1)C(=O)O
NscNumber:
606897
Complexity:
217
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
-0.4
CatalogNumber: AB48074
ChemicalName: 2-Benzyloxy-5-bromopyridine
CasNumber: 83664-33-9
MolecularFormula: C12H10BrNO
MolecularWeight: 264.1179
MdlNumber: MFCD04116054
Smiles: Brc1ccc(nc1)OCc1ccccc1
NscNumber: __
Complexity: 183
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: __
RotatableBondCount: 3
Xlogp3: 3.3
CatalogNumber:
AB48074
ChemicalName:
2-Benzyloxy-5-bromopyridine
CasNumber:
83664-33-9
MolecularFormula:
C12H10BrNO
MolecularWeight:
264.1179
MdlNumber:
MFCD04116054
Smiles:
Brc1ccc(nc1)OCc1ccccc1
NscNumber:
__
Complexity:
183
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
RotatableBondCount:
3
Xlogp3:
3.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCCCCCCCCCCCCCOCCOCCOCCOC(=O)CCCCCCCCCCCCCCC
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCCCCCCCCCCCCCOCCOCCOCCOC(=O)CCCCCCCCCCCCCCC
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB48076
ChemicalName: N,N-Dimethyl 3-borono-4-methylbenzenesulfonamide
CasNumber: 871332-99-9
MolecularFormula: C9H14BNO4S
MolecularWeight: 243.0878
MdlNumber: MFCD08056363
Smiles: OB(c1cc(ccc1C)S(=O)(=O)N(C)C)O
NscNumber: __
Complexity: 325
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 3
Xlogp3: __
CatalogNumber:
AB48076
ChemicalName:
N,N-Dimethyl 3-borono-4-methylbenzenesulfonamide
CasNumber:
871332-99-9
MolecularFormula:
C9H14BNO4S
MolecularWeight:
243.0878
MdlNumber:
MFCD08056363
Smiles:
OB(c1cc(ccc1C)S(=O)(=O)N(C)C)O
NscNumber:
__
Complexity:
325
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
3
Xlogp3:
__