AI11786
1184174-04-6 | 3-(4-Bromophenyl)-1-methyl-1H-1,2,4-triazole
Manufacturer: A2B Chem
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CatalogNumber
AI11786
ChemicalName
3-(4-Bromophenyl)-1-methyl-1H-1,2,4-triazole
CasNumber
1184174-04-6
MolecularFormula
C9H8BrN3
MolecularWeight
238.0839
MdlNumber
MFCD16987729
Smiles
Brc1ccc(cc1)c1ncn(n1)C
Complexity
168
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
2
RotatableBondCount
1
Xlogp3
2.4
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CatalogNumber: AI11786
ChemicalName: 3-(4-Bromophenyl)-1-methyl-1H-1,2,4-triazole
CasNumber: 1184174-04-6
MolecularFormula: C9H8BrN3
MolecularWeight: 238.0839
MdlNumber: MFCD16987729
Smiles: Brc1ccc(cc1)c1ncn(n1)C
Complexity: 168
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 2
RotatableBondCount: 1
Xlogp3: 2.4
CatalogNumber:
AI11786
ChemicalName:
3-(4-Bromophenyl)-1-methyl-1H-1,2,4-triazole
CasNumber:
1184174-04-6
MolecularFormula:
C9H8BrN3
MolecularWeight:
238.0839
MdlNumber:
MFCD16987729
Smiles:
Brc1ccc(cc1)c1ncn(n1)C
Complexity:
168
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
2
RotatableBondCount:
1
Xlogp3:
2.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)[C@]1(OC)CCN(C1)C(=O)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)[C@]1(OC)CCN(C1)C(=O)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AI11788
ChemicalName: 3-(6-Methyl-3-pyridinyl)propanoic acid
CasNumber: 118420-23-8
MolecularFormula: C9H11NO2
MolecularWeight: 165.18914
MdlNumber: MFCD18259981
Smiles: OC(=O)CCc1ccc(nc1)C
Complexity: 159
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
RotatableBondCount: 3
Xlogp3: 1
CatalogNumber:
AI11788
ChemicalName:
3-(6-Methyl-3-pyridinyl)propanoic acid
CasNumber:
118420-23-8
MolecularFormula:
C9H11NO2
MolecularWeight:
165.18914
MdlNumber:
MFCD18259981
Smiles:
OC(=O)CCc1ccc(nc1)C
Complexity:
159
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
RotatableBondCount:
3
Xlogp3:
1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Fc1cc(F)cc(c1)c1cc(F)ccc1C(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Fc1cc(F)cc(c1)c1cc(F)ccc1C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__