AI40794
1820704-68-4 | 5-Bromo-3-acetamidopyridine-2-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AI40794
ChemicalName
5-Bromo-3-acetamidopyridine-2-carboxylic acid
CasNumber
1820704-68-4
MolecularFormula
C8H7BrN2O3
MolecularWeight
259.0568
MdlNumber
MFCD26383425
Smiles
CC(=O)Nc1cc(Br)cnc1C(=O)O
Complexity
247
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
RotatableBondCount
2
Xlogp3
1.1
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CatalogNumber: AI40794
ChemicalName: 5-Bromo-3-acetamidopyridine-2-carboxylic acid
CasNumber: 1820704-68-4
MolecularFormula: C8H7BrN2O3
MolecularWeight: 259.0568
MdlNumber: MFCD26383425
Smiles: CC(=O)Nc1cc(Br)cnc1C(=O)O
Complexity: 247
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: 1.1
CatalogNumber:
AI40794
ChemicalName:
5-Bromo-3-acetamidopyridine-2-carboxylic acid
CasNumber:
1820704-68-4
MolecularFormula:
C8H7BrN2O3
MolecularWeight:
259.0568
MdlNumber:
MFCD26383425
Smiles:
CC(=O)Nc1cc(Br)cnc1C(=O)O
Complexity:
247
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
1.1
CatalogNumber: AI40795
ChemicalName: 7-Bromo-1-propyl-1,2,3-benzotriazole-5-carbonitrile
CasNumber: 1820704-74-2
MolecularFormula: C10H9BrN4
MolecularWeight: 265.1093
MdlNumber: MFCD25953930
Smiles: CCCn1nnc2c1c(Br)cc(c2)C#N
Complexity: 274
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: 2
Xlogp3: 2.4
CatalogNumber:
AI40795
ChemicalName:
7-Bromo-1-propyl-1,2,3-benzotriazole-5-carbonitrile
CasNumber:
1820704-74-2
MolecularFormula:
C10H9BrN4
MolecularWeight:
265.1093
MdlNumber:
MFCD25953930
Smiles:
CCCn1nnc2c1c(Br)cc(c2)C#N
Complexity:
274
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
2
Xlogp3:
2.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Clc1cc(Br)c2c(c1)[nH]c(=O)c(=O)[nH]2
Complexity: 287
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 1.8
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Clc1cc(Br)c2c(c1)[nH]c(=O)c(=O)[nH]2
Complexity:
287
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
1.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)C1=C(C=C(C=C1)C2=CC(=CC=C2)OC(F)(F)F)Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)C1=C(C=C(C=C1)C2=CC(=CC=C2)OC(F)(F)F)Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__