AI41936
1864061-55-1 | 3-Bromo-5-(imidazol-1-yl)benzamide
Manufacturer: A2B Chem
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CatalogNumber
AI41936
ChemicalName
3-Bromo-5-(imidazol-1-yl)benzamide
CasNumber
1864061-55-1
MolecularFormula
C10H8BrN3O
MolecularWeight
266.094
MdlNumber
MFCD29035391
Smiles
Brc1cc(cc(c1)n1cncc1)C(=O)N
Complexity
249
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
1.2
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CatalogNumber: AI41936
ChemicalName: 3-Bromo-5-(imidazol-1-yl)benzamide
CasNumber: 1864061-55-1
MolecularFormula: C10H8BrN3O
MolecularWeight: 266.094
MdlNumber: MFCD29035391
Smiles: Brc1cc(cc(c1)n1cncc1)C(=O)N
Complexity: 249
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 1.2
CatalogNumber:
AI41936
ChemicalName:
3-Bromo-5-(imidazol-1-yl)benzamide
CasNumber:
1864061-55-1
MolecularFormula:
C10H8BrN3O
MolecularWeight:
266.094
MdlNumber:
MFCD29035391
Smiles:
Brc1cc(cc(c1)n1cncc1)C(=O)N
Complexity:
249
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
1.2
CatalogNumber: AI41937
ChemicalName: 5-[2-(Dimethylamino)ethoxy]-2-fluorobenzonitrile
CasNumber: 1864062-45-2
MolecularFormula: C11H13FN2O
MolecularWeight: 208.2321
MdlNumber: MFCD29035401
Smiles: N#Cc1cc(OCCN(C)C)ccc1F
Complexity: 236
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: __
RotatableBondCount: 4
Xlogp3: 1.7
CatalogNumber:
AI41937
ChemicalName:
5-[2-(Dimethylamino)ethoxy]-2-fluorobenzonitrile
CasNumber:
1864062-45-2
MolecularFormula:
C11H13FN2O
MolecularWeight:
208.2321
MdlNumber:
MFCD29035401
Smiles:
N#Cc1cc(OCCN(C)C)ccc1F
Complexity:
236
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
__
RotatableBondCount:
4
Xlogp3:
1.7
CatalogNumber: AI41938
ChemicalName: 1-Bromo-4-methanesulfonyl-2,5-dimethylbenzene
CasNumber: 1864063-77-3
MolecularFormula: C9H11BrO2S
MolecularWeight: 263.1514
MdlNumber: MFCD29035425
Smiles: Cc1cc(c(cc1Br)C)S(=O)(=O)C
Complexity: 268
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: __
RotatableBondCount: 1
Xlogp3: 2.6
CatalogNumber:
AI41938
ChemicalName:
1-Bromo-4-methanesulfonyl-2,5-dimethylbenzene
CasNumber:
1864063-77-3
MolecularFormula:
C9H11BrO2S
MolecularWeight:
263.1514
MdlNumber:
MFCD29035425
Smiles:
Cc1cc(c(cc1Br)C)S(=O)(=O)C
Complexity:
268
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
RotatableBondCount:
1
Xlogp3:
2.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)CC(c1cccc(c1)O)C1CCCC1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)CC(c1cccc(c1)O)C1CCCC1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__